Mrv0541 02241209542D 92102 0 0 0 0 999 V2000 -3.0142 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0142 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 3.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 4.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 3.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 3.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 4.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6852 4.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6852 5.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 5.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 1.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 3.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 3.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 2.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 6.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 6.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 3.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 2.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4082 3.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7398 0.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9518 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3679 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 -1.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 -1.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5351 -0.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3721 1.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1666 2.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3731 2.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 3.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7088 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4888 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 0.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 -0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 -1.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 0.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 -0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 -1.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7505 1.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3721 1.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 1.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 0.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 -0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 0.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1325 -1.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 0.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 -1.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -2.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8111 -3.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 -2.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1253 -3.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -4.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 -3.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8139 -4.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 -3.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -4.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 -4.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 -5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -5.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 -6.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 -5.8496 0.0000 O 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 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 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 9 27 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 28 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 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 31 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 29 1 0 0 0 0 21 30 1 0 0 0 0 25 34 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 43 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 36 60 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 49 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 44 64 1 0 0 0 0 45 46 1 0 0 0 0 45 63 1 0 0 0 0 46 47 1 0 0 0 0 46 62 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 57 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 52 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 70 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 71 1 0 0 0 0 68 69 1 0 0 0 0 68 72 1 0 0 0 0 69 70 1 0 0 0 0 69 73 1 0 0 0 0 70 74 1 0 0 0 0 72 75 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 77 78 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 79 82 1 0 0 0 0 80 83 1 0 0 0 0 82 84 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 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 90 1 0 0 0 0 88 89 1 0 0 0 0 88 91 1 0 0 0 0 89 92 1 0 0 0 0 M END > CHEM025151 > chemdb > CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O > InChI=1S/C63H102O29/c1-25-47(88-52-46(79)48(30(68)24-82-52)89-51-43(76)36(69)28(66)22-81-51)42(75)45(78)53(84-25)90-49-37(70)29(67)23-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(41(74)39(72)32(21-65)86-56)91-54-44(77)40(73)38(71)31(20-64)85-54/h9,25,27-56,64-79H,10-24H2,1-8H3 > GGJRZIMZYBAXEM-UHFFFAOYSA-N > C63H102O29 > 1323.4666 > 1322.650677302 > 28 > 137.2353818285893 > 0 > 16 > 0 > 0 > 3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-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 > 0.63 > -1.5894980956666644 > -2.97 > 1 > 11 > 0 > 12.073042940676432 > 11.672759884614718 > -3.6786228428906265 > 451.51000000000016 > 308.691 > 15 > 0 > 1.42e+00 g/l > 3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-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 > Acutoside D > 135575-16-5 > Acutoside E $$$$