Summary

Molecular formula: C20H30O5
SMILES: C=C[C@@H]1C(=C)CC[C@H]2[C@@]1(O)CC[C@@]1([C@]2(C)CC[C@H]([C@@]1(C)C(=O)O)O)O
InChI: InChI=1S/C20H30O5/c1-5-13-12(2)6-7-14-17(3)9-8-15(21)18(4,16(22)23)20(17,25)11-10-19(13,14)24/h5,13-15,21,24-25H,1-2,6-11H2,3-4H3,(H,22,23)/t13-,14-,15-,17-,18+,19-,20+/m1/s1
InChIKey: MECXSJIILFRSID-XSINAMBDSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(CCC3CCCCC32)C1

Scaffold Graph/Node level:
CC1CCC2C(CCC3CCCCC32)C1

Scaffold Graph level:
CC1CCC2C(CCC3CCCCC32)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Steroid acids

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Synonymous chemical names:
3α,5α,8β-trihydroxycleistanth-13(17),15-dien-18-oic acid

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External chemical identifiers:
NPATLAS_NPA015096; ZINC_ZINC000144458457

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Chemical structure download