Summary

Molecular formula: C30H46O5
SMILES: O[C@@H](C([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CC[C@H](C2(C)C)O)C)O)C)C/C=C(/C(=O)O)C
InChI: InChI=1S/C30H46O5/c1-17(26(34)35)8-10-22(31)18(2)21-16-25(33)30(7)20-9-11-23-27(3,4)24(32)13-14-28(23,5)19(20)12-15-29(21,30)6/h8-9,12,18,21-25,31-33H,10-11,13-16H2,1-7H3,(H,34,35)/b17-8+/t18?,21-,22-,23?,24-,25+,28-,29-,30-/m1/s1
InChIKey: VQYWTFJFAJFDIW-UVIHMKCZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(=CCC3CCCCC23)C2CCCC2C1

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,15a,22a-trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3α,15α,22α-trihydroxylanosta-7,9(11),24-trien-26-oic acid

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External chemical identifiers:
CID_139584254; NPATLAS_NPA004210

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Chemical structure download