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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003067

(3S,3aS,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,11a,13b-pentamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid

Formula: C30H48O3  |  Mol. Weight: 456.70 g/mol

IUPAC: (3S,3aS,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,11a,13b-pentamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid

Overview

Molecular Formula C30H48O3
Molecular Weight 456.70 g/mol
Canonical SMILES CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy