Summary

Molecular formula: C30H44O5
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CC/C=C(/C(=O)O)C
InChI: InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,21-22,32H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,19-,21-,22+,28+,29+,30-/m1/s1
InChIKey: SAZFHNNKAYSDKP-MTDMGVMMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3CCC21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3CCC21

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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:
11 a -hydroxy-3,7-dioxo-5 a -lanosta-8,24(e)-dien-26-oic acid

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External chemical identifiers:
NPATLAS_NPA004659; ZINC_ZINC000095563804

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Chemical structure download