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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019301

(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2S,3S,4S,6S)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Formula: C30H40O10  |  Mol. Weight: 560.60 g/mol

IUPAC: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2S,3S,4S,6S)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Overview

Molecular Formula C30H40O10
Molecular Weight 560.60 g/mol
Canonical SMILES CC1CC(C(C(O1)OC2CCC3(C4CC(=O)C5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy