Summary

Molecular formula: C37H58O8
SMILES: O=C(C[C@](CC(=O)O)(O)C)O[C@@H]1CC[C@]2([C@@](C1(C)C)(C)CCC1=C2C[C@H](O)C2[C@@]1(C)CC[C@@H]2[C@@H](CCC(=C)[C@@H](C(=O)O)C)C)C
InChI: InChI=1S/C37H58O8/c1-21(23(3)32(42)43)10-11-22(2)24-12-15-35(7)25-13-17-37(9)33(4,5)28(45-30(41)20-34(6,44)19-29(39)40)14-16-36(37,8)26(25)18-27(38)31(24)35/h22-24,27-28,31,38,44H,1,10-20H2,2-9H3,(H,39,40)(H,42,43)/t22-,23+,24-,27+,28-,31?,34+,35+,36-,37+/m1/s1
InChIKey: PTPWJJLGMZGPLR-DUPSCJKZSA-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:
(25s,30s)-(+)-12a-hydroxy-3a-[30-hydroxy-30-methylglutaryloxy]-24-methyllanosta-8,24(31)-dien-26-oic acid

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Chemical structure download