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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011545

(3R,5R,8R,9R,10S,11R,13R,14R,17S)-3,11-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one

Formula: C30H46O4  |  Mol. Weight: 470.70 g/mol

IUPAC: (3R,5R,8R,9R,10S,11R,13R,14R,17S)-3,11-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one

Overview

Molecular Formula C30H46O4
Molecular Weight 470.70 g/mol
Canonical SMILES CC(=CC(=O)C=C(C)C1CCC2(C1CC(C3C2(CCC4C3(CC(=O)C(C4(C)C)O)C)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy