Mrv0541 02241210532D 98107 0 0 0 0 999 V2000 -2.4864 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7726 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7726 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 1.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8566 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8566 0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8566 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2839 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9976 2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7115 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4252 2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7115 0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8566 2.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 1.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 1.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1852 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2291 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 3.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 3.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 4.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 4.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 4.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 3.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 3.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 5.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8973 4.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 3.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1059 3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5184 4.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 4.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5184 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1059 2.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 2.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 4.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 5.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -2.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0467 -3.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 -3.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -4.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 -4.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 -4.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 -3.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 -4.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6189 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 3.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 3.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5158 3.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9462 3.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5515 4.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 4.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3166 5.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9723 5.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7714 3.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9242 2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0542 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -1.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 -1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0542 -3.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 -3.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5296 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 0.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 1.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 1.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 2.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5296 2.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9462 1.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5296 1.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9462 0.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7714 1.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9462 3.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 3.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 3.9070 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 34 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 31 1 0 0 0 0 7 8 1 0 0 0 0 7 57 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 30 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 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 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 27 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 26 35 1 0 0 0 0 34 77 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 46 1 0 0 0 0 44 45 1 0 0 0 0 45 67 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 55 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 53 1 0 0 0 0 51 52 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 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 69 70 1 0 0 0 0 69 76 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 71 72 1 0 0 0 0 71 74 1 0 0 0 0 72 73 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 79 80 1 0 0 0 0 79 86 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 81 82 1 0 0 0 0 81 84 1 0 0 0 0 82 83 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 90 97 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 92 93 1 0 0 0 0 92 95 1 0 0 0 0 93 94 1 0 0 0 0 97 98 1 0 0 0 0 M END > CHEM029260 > chemdb > CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C65H110O33/c1-24(2)11-10-13-64(9,98-59-51(97-58-50(85)43(78)38(73)30(20-67)93-58)45(80)40(75)32(95-59)23-88-54-47(82)41(76)35(70)25(3)90-54)65(86)16-15-62(7)52(65)26(68)17-33-61(6)14-12-34(60(4,5)53(61)28(18-63(33,62)8)91-55-46(81)36(71)27(69)21-87-55)96-57-49(84)44(79)39(74)31(94-57)22-89-56-48(83)42(77)37(72)29(19-66)92-56/h11,25-59,66-86H,10,12-23H2,1-9H3 > SKEFDZGMYDGFOO-UHFFFAOYSA-N > C65H110O33 > 1419.5491 > 1418.692936046 > 33 > 147.46546733934804 > 0 > 21 > 0 > 0 > 2-[(6-{[2-(14,16-dihydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol > -1.17 > -5.7643852653333365 > -2.06 > 1 > 10 > 0 > 12.003921506659399 > 11.61536935187001 > -3.6786228428940495 > 535.5900000000001 > 327.1542999999999 > 20 > 0 > 1.23e+01 g/l > 2-[(6-{[2-(14,16-dihydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol > 0 > (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 3-[glucosyl-(1->6)-glucoside] 6-xyloside > 251101-59-4 $$$$