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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004416

Baccatin I

Formula: C32H44O13  |  Mol. Weight: 636.70 g/mol

IUPAC: [(1'S,2R,2'R,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',7',9',10'-pentaacetyloxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-13'-yl] acetate

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Overview

Molecular Formula C32H44O13
Molecular Weight 636.70 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy