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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001928

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

Formula: C35H56O12  |  Mol. Weight: 668.80 g/mol

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

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Overview

Molecular Formula C35H56O12
Molecular Weight 668.80 g/mol
Canonical SMILES CC(C1CC(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)(C)O)(C)O)C3(CCC4C3(CCC5C4CC(C67C5(C(=O)CC6C7)C)OC)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy