Summary

Molecular formula: C29H42O9
SMILES: CC(=O)O[C@@H]1C(=O)C2=C([C@]3([C@@]1(C)[C@H](CC3=O)C(CCC(=O)O)(O)C)C)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O
InChI: InChI=1S/C29H42O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h15-18,24,31-32,37H,8-13H2,1-7H3,(H,34,35)/t15-,16-,17+,18-,24+,26-,27?,28-,29-/m0/s1
InChIKey: FFMHRFMHJKVBHE-OOLUJHIHSA-N

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Molecular scaffolds

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

Scaffold Graph/Node level:
OC1CCC2CC(O)C3C4CCCCC4CCC3C12

Scaffold Graph level:
CC1CCC2CC(C)C3C4CCCCC4CCC3C12

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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:
20-hydroxylucidenic acid p

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External chemical identifiers:
CID_11191849; NPATLAS_NPA011831; CHEMSPIDER_9366927

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Chemical structure download