Summary

Molecular formula: C30H48O
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C
InChI: InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,15,21-22,25-26,31H,9,11,13-14,16-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChIKey: ZBFPGLKEWSMWSG-BQNIITSRSA-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:
agnosterol (lanosta-7,9(11),24-trien-3b-ol)

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External chemical identifiers:
CID_21126062; CAS_472-29-7; CHEMSPIDER_19993507; ZINC_ZINC000013543517

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Chemical structure download