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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038679

[(3S,4R,4aR,5S,6R,8R,8aS)-8-[(2R,3aR,5R,6aS)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-3,5-diacetyloxy-6,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate

Formula: C27H40O10  |  Mol. Weight: 524.60 g/mol

IUPAC: [(3S,4R,4aR,5S,6R,8R,8aS)-8-[(2R,3aR,5R,6aS)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-3,5-diacetyloxy-6,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate

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Overview

Molecular Formula C27H40O10
Molecular Weight 524.60 g/mol
Canonical SMILES CC1CC(C2CCC(C3(C2(C1OC(=O)C)COC(=O)C)CO3)OC(=O)C)(C)C4CC5CC(OC5O4)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy