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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010188

[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate

Formula: C32H44O14  |  Mol. Weight: 652.70 g/mol

IUPAC: [(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate

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Overview

Molecular Formula C32H44O14
Molecular Weight 652.70 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1OC(=O)C)C(C)(C)O)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