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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007815

(1R,3S,3aR,5aR,5bR,7aR,9R,11bR,13aR,13bR)-3,9-dihydroxy-3a-(hydroxymethyl)-5a,5b,8,8-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-10-one

Formula: C29H44O4  |  Mol. Weight: 456.70 g/mol

IUPAC: (1R,3S,3aR,5aR,5bR,7aR,9R,11bR,13aR,13bR)-3,9-dihydroxy-3a-(hydroxymethyl)-5a,5b,8,8-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-10-one

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Overview

Molecular Formula C29H44O4
Molecular Weight 456.70 g/mol
Canonical SMILES CC(=C)C1CC(C2(C1C3CCC4C5=CC(=O)C(C(C5CCC4(C3(CC2)C)C)(C)C)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy