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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017953

3-[(3S,5R,10S,13S)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,11,12-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-2H-furan-5-one

Formula: C30H40O8  |  Mol. Weight: 528.60 g/mol

IUPAC: 3-[(3S,5R,10S,13S)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,11,12-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-2H-furan-5-one

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Overview

Molecular Formula C30H40O8
Molecular Weight 528.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4=C3CCC5(C4=CC=C5C6=CC(=O)OC6O)C)C)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy