Summary

Molecular formula: C36H56O8
SMILES: COC(=O)C[C@@](CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2C[C@H](O)[C@H]2[C@H]1CC[C@@H]2[C@@H](CCC(=C)[C@@H](C(=O)O)C)C)C)(O)C
InChI: InChI=1S/C36H56O8/c1-20(22(3)33(40)41)9-10-21(2)23-11-12-25-24-13-14-28-34(4,5)29(44-31(39)19-35(6,42)18-30(38)43-8)15-16-36(28,7)26(24)17-27(37)32(23)25/h21-23,25,27-29,32,37,42H,1,9-19H2,2-8H3,(H,40,41)/t21-,22+,23-,25+,27+,28+,29-,32-,35+,36-/m1/s1
InChIKey: AOFZLYNJSDHEKM-KCDPKDJCSA-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-40- methoxycarbonyl-30-methylbutyryloxy]-24-methyllanosta-8,24(31)-dien-26-oic acid

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Chemical structure download