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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019128

7-Epibaccatin III

Formula: C31H38O11  |  Mol. Weight: 586.60 g/mol

IUPAC: [(1S,4S,7R,10S,12R)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

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Overview

Molecular Formula C31H38O11
Molecular Weight 586.60 g/mol
Canonical SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy