Summary

Molecular formula: C30H46O5
SMILES: O[C@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=C(O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C/C=C(/C(=O)O)C
InChI: InChI=1S/C30H46O5/c1-17(26(34)35)8-9-21(31)18(2)19-10-15-30(7)25-20(11-14-29(19,30)6)28(5)13-12-24(33)27(3,4)23(28)16-22(25)32/h8,11,18-19,21,23-24,31-33H,9-10,12-16H2,1-7H3,(H,34,35)/b17-8+/t18-,19+,21-,23?,24-,28+,29+,30-/m0/s1
InChIKey: CBEHYBSYVAWDEX-ZMCOKGDDSA-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:
3b,15a ,22b-trihydroxylanosta-7,9(11),24-trien-26-oic acid

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Chemical structure download