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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014945

Taxumairol U

Formula: C30H44O13  |  Mol. Weight: 612.70 g/mol

IUPAC: [(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-2,5,6,8-tetraacetyloxy-4,10-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate

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Overview

Molecular Formula C30H44O13
Molecular Weight 612.70 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC(C(C3C(C2(CC1OC(=O)C)C(C)(C)O)O)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy