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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022071

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

Formula: C29H46O4  |  Mol. Weight: 458.70 g/mol

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

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Overview

Molecular Formula C29H46O4
Molecular Weight 458.70 g/mol
Canonical SMILES CC(=O)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy