Summary

Molecular formula: C30H48O3
SMILES: CC(=CCC[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)C(=O)O)C
InChI: InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey: NBSBUIQBEPROBM-GIICLEHTSA-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:
(+)-trametenolic acid b, 3b-hydroxy-5 a -lanosta-8,24-dien-21-oic acid, 3β-hydroxy-5α-lanosta-8,24-diene-21-oic acid, trametenolic acid b

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External chemical identifiers:
CID_12309443; CAS_24160-36-9; NPATLAS_NPA011620; CHEMSPIDER_10193870; ZINC_ZINC000028535504

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Chemical structure download