Summary

Molecular formula: C30H48O2
SMILES: O=C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)CCC=C(C)C
InChI: InChI=1S/C30H48O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22+,25-,26-,28+,29+,30-/m0/s1
InChIKey: BDXXTCGLJBYHHM-ILLHTMCHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

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:
3beta-hydroxy-lanosta-8,24-dien-21-al, 3β-hydroxylanosta-8, 24-diene-21-al

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External chemical identifiers:
CID_180709, CID_44581610; CAS_96574-03-7; NPATLAS_NPA009038; CHEMSPIDER_24716765; Molport_MolPort-039-338-737

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Chemical structure download