Summary

Molecular formula: C38H60O7
SMILES: COC(=O)CC(CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@@]1(C)CC[C@@H]2[C@H](C(=O)O)CCC(=C)C(C)C)C)C)(O)C
InChI: InChI=1S/C38H60O7/c1-23(2)24(3)11-12-25(33(41)42)26-15-19-38(9)28-13-14-29-34(4,5)30(45-32(40)22-35(6,43)21-31(39)44-10)17-18-36(29,7)27(28)16-20-37(26,38)8/h23,25-26,29-30,43H,3,11-22H2,1-2,4-10H3,(H,41,42)/t25-,26-,29+,30-,35?,36-,37-,38+/m1/s1
InChIKey: VKMZACSYECLFAU-HNBNAWJQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
3a-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5 a -lanost-8-en-21-oic acid, 3a-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5a-lanost-8-en-21-oic acid

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External chemical identifiers:
CID_24796273; NPATLAS_NPA013196; CHEMSPIDER_78441258

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Chemical structure download