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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022101

10-Desacetylbaccatin III

Formula: C29H36O10  |  Mol. Weight: 544.60 g/mol

IUPAC: (4-acetyloxy-1,9,12,15-tetrahydroxy-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 C29H36O10
Molecular Weight 544.60 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)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy