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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001590

(3R,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3,13-dihydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-9-one

Formula: C35H58O9  |  Mol. Weight: 622.80 g/mol

IUPAC: (3R,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3,13-dihydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-9-one

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Overview

Molecular Formula C35H58O9
Molecular Weight 622.80 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1=O)C)CC(C4C3(CC(C5C4(CCC5(C(C)(C)O)O)C)OC6C(C(C(CO6)O)O)O)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy