Summary

Molecular formula: C36H50O12
SMILES: O=C(C[C@](CC(=O)O)(O)C)OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC(=O)C1=C2C(=O)[C@H]([C@]2([C@@]1(C)C(=O)C[C@@H]2[C@@H](CCC=C(C(=O)O)C)C)C)O)C
InChI: InChI=1S/C36H50O12/c1-18(9-8-10-19(2)31(45)46)20-13-24(39)36(7)27-21(37)14-22-33(4,28(27)29(43)30(44)35(20,36)6)12-11-23(38)34(22,5)17-48-26(42)16-32(3,47)15-25(40)41/h10,18,20,22-23,30,38,44,47H,8-9,11-17H2,1-7H3,(H,40,41)(H,45,46)/t18-,20-,22-,23+,30-,32+,33+,34-,35+,36+/m1/s1
InChIKey: LOMAZNWIDBIYLW-UXLUFUOLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC(=O)C2C2=C1C1CCCCC1CC2=O

Scaffold Graph/Node level:
OC1CCC2CC(O)C3C4CCCCC4CC(O)C3C12

Scaffold Graph level:
CC1CCC2CC(C)C3C4CCCCC4CC(C)C3C12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
ganoleucoin y

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Chemical structure download