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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001930

(1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(1R,2S,4R,6S)-1,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-8,14-dihydroxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one

Formula: C34H52O11  |  Mol. Weight: 636.80 g/mol

IUPAC: (1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(1R,2S,4R,6S)-1,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-8,14-dihydroxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one

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Overview

Molecular Formula C34H52O11
Molecular Weight 636.80 g/mol
Canonical SMILES CC(C1CC2(C(O2)(C(O1)OC3C(C(C(C(O3)CO)O)O)O)C)C)C4(CCC5C4(CCC6C5CC(C78C6(C(=O)CC7C8)C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy