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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000972

[(1R,2R,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R,3S)-2,3-diacetyloxy-2-methylbutanoate

Formula: C33H44O14  |  Mol. Weight: 664.70 g/mol

IUPAC: [(1R,2R,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R,3S)-2,3-diacetyloxy-2-methylbutanoate

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Overview

Molecular Formula C33H44O14
Molecular Weight 664.70 g/mol
Canonical SMILES CC1=CC(C2(C(C1(C)C3CC4C=COC4O3)CC(C(C25CO5)OC(=O)C(C)(C(C)OC(=O)C)OC(=O)C)O)COC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy