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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018408

(3S,6S,8S,12R,15R,16R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadeca-1(18),10-dien-14-one

Formula: C35H52O9  |  Mol. Weight: 616.80 g/mol

IUPAC: (3S,6S,8S,12R,15R,16R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadeca-1(18),10-dien-14-one

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Overview

Molecular Formula C35H52O9
Molecular Weight 616.80 g/mol
Canonical SMILES CC(CC(=O)C1C(O1)(C)C)C2C(=O)CC3(C2(CC=C4C3=CCC5C(C(CCC5(C4)O)OC6C(C(C(CO6)O)O)O)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy