Mrv0541 05061312272D 104115 0 0 0 0 999 V2000 -0.6355 1.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6355 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0784 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 1.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 0.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 1.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 1.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 2.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 2.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 1.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 2.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0827 2.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0827 3.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3703 4.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 3.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8422 4.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 0.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 0.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 2.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 2.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 1.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2244 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 -0.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7954 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 -0.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5101 -1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 -1.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 -1.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 -2.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 -2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 -3.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 -2.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6522 -1.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 -4.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 -3.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -4.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 -4.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 -4.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 -3.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -4.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 -5.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 -6.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0816 -5.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0669 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0669 1.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 1.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 2.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 2.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 1.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 -0.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 3.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 4.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 4.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 5.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1999 4.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2041 4.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 6.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 5.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 3.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9246 0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 1.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9246 1.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 2.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0671 1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0671 0.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7796 1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4947 1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2097 1.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2097 0.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4947 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7796 0.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4947 -0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9234 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9234 1.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4947 2.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2124 2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9104 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 34 1 0 0 0 0 31 64 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 49 1 0 0 0 0 46 47 1 0 0 0 0 46 50 1 0 0 0 0 47 48 1 0 0 0 0 47 51 1 0 0 0 0 48 52 1 0 0 0 0 50 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 59 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 70 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 68 69 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 71 1 0 0 0 0 71 75 1 0 0 0 0 73 84 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 76 77 1 0 0 0 0 76 83 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 78 79 1 0 0 0 0 78 81 1 0 0 0 0 79 80 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 85 86 1 0 0 0 0 85 93 1 0 0 0 0 86 87 1 0 0 0 0 86 92 1 0 0 0 0 87 88 1 0 0 0 0 87 91 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 91 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 95 96 1 0 0 0 0 95103 1 0 0 0 0 96 97 1 0 0 0 0 96102 1 0 0 0 0 97 98 1 0 0 0 0 97101 1 0 0 0 0 98 99 1 0 0 0 0 98100 1 0 0 0 0 M END > CHEM034312 > chemdb > CC1OC(OC2C(C)OC(OC3C(O)C(COC4OCC(O)C(O)C4O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(O)CC65C)C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C70H114O34/c1-25-38(75)43(80)48(85)58(94-25)100-53-26(2)95-59(50(87)45(53)82)102-55-42(79)33(24-93-57-47(84)39(76)30(72)22-91-57)98-62(52(55)89)99-37-14-15-67(8)34(66(37,6)7)13-16-68(9)35(67)12-11-28-29-19-65(4,5)17-18-70(29,36(74)20-69(28,68)10)64(90)104-63-56(40(77)31(73)23-92-63)103-60-51(88)46(83)54(27(3)96-60)101-61-49(86)44(81)41(78)32(21-71)97-61/h11,25-27,29-63,71-89H,12-24H2,1-10H3 > KJOWFPGVPJXPDN-UHFFFAOYSA-N > C70H114O34 > 1499.6338 > 1498.719150796 > 33 > 153.87950576478391 > 0 > 19 > 0 > 0 > 3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl 10-{[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 0.54 > -3.1276598170000027 > -2.53 > 1 > 12 > 0 > 11.937855011414033 > 11.558477470791123 > -3.68336992469853 > 530.6600000000002 > 345.49489999999986 > 17 > 0 > 4.40e+00 g/l > 3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl 10-{[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > Helianthoside C > 25503-42-8 $$$$