Summary

Molecular formula: C27H38O8
SMILES: OCC1(C)C(O)CCC2(C1CC(=O)C1=C2C(=O)C(C2(C1(C)C(=O)CC2C(CCC(=O)O)C)C)O)C
InChI: InChI=1S/C27H38O8/c1-13(6-7-19(32)33)14-10-18(31)27(5)20-15(29)11-16-24(2,9-8-17(30)25(16,3)12-28)21(20)22(34)23(35)26(14,27)4/h13-14,16-17,23,28,30,35H,6-12H2,1-5H3,(H,32,33)
InChIKey: HAVMVUFJSIMVDG-UHFFFAOYSA-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:
lucidenic acid j

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External chemical identifiers:
CID_131751851

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Chemical structure download