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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025889

(3R,7R,8R,9S,10S,13S,14R,17S)-3-hydroxy-17-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde

Formula: C37H60O9  |  Mol. Weight: 648.90 g/mol

IUPAC: (3R,7R,8R,9S,10S,13S,14R,17S)-3-hydroxy-17-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde

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Overview

Molecular Formula C37H60O9
Molecular Weight 648.90 g/mol
Canonical SMILES CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)C=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy