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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003915

(2S,4S,6S,7R,10R,11R,13S,14R,16R)-6-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-13-hydroxy-7,11-dimethyl-14-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-en-17-one

Formula: C33H52O11  |  Mol. Weight: 624.80 g/mol

IUPAC: (2S,4S,6S,7R,10R,11R,13S,14R,16R)-6-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-13-hydroxy-7,11-dimethyl-14-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-en-17-one

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Overview

Molecular Formula C33H52O11
Molecular Weight 624.80 g/mol
Canonical SMILES CC(C)CCC(C(C)(C1CC2C3(C1(CCC4C3=CC(=O)C5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O2)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy