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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027048

(3R,5R,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid

Formula: C38H62O11  |  Mol. Weight: 694.90 g/mol

IUPAC: (3R,5R,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid

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Overview

Molecular Formula C38H62O11
Molecular Weight 694.90 g/mol
Canonical SMILES CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy