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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013360

13-O-Deacetyltaxumairol Z

Formula: C31H40O12  |  Mol. Weight: 604.60 g/mol

IUPAC: [(1R,2S,3S,5S,8R,9R,10R,11S,13R,16S)-16-acetyloxy-10-(acetyloxymethyl)-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-2-yl] benzoate

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Overview

Molecular Formula C31H40O12
Molecular Weight 604.60 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)COC(=O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy