Summary

Molecular formula: C28H36O9
SMILES: OC(=O)CCC([C@H]1CC(=O)[C@@]2([C@]1(OC(=O)C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C
InChI: InChI=1S/C28H36O9/c1-14(29)37-28-13-16(31)22-23(15(30)11-17-24(2,3)19(32)7-9-25(17,22)4)27(28,6)20(33)12-18(28)26(5,36)10-8-21(34)35/h17-18,36H,7-13H2,1-6H3,(H,34,35)/t17-,18+,25-,26?,27-,28-/m0/s1
InChIKey: KKOBUWSLPYWAMP-WUKPOZGNSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1C(=O)CCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3C(O)CCC3CC(O)C21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3C(C)CCC3CC(C)C21

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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-hydroxy lucidenic acid d2, 20-hydroxylucidenic acid d2

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External chemical identifiers:
CID_139585728; NPATLAS_NPA009495

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Chemical structure download