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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032417

(1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bR)-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid

Formula: C30H46O6  |  Mol. Weight: 502.70 g/mol

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

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Overview

Molecular Formula C30H46O6
Molecular Weight 502.70 g/mol
Canonical SMILES CC(=C)C1CCC2(C1C3CC(C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy