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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001063

[(1S,2S,3S,4R,4aR,5S,7R,8S,8aR)-8-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-2,5-diacetyloxy-3-hydroxy-7,8-dimethyl-1-[(E)-2-methylbut-2-enoxy]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate

Formula: C31H44O11  |  Mol. Weight: 592.70 g/mol

IUPAC: [(1S,2S,3S,4R,4aR,5S,7R,8S,8aR)-8-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-2,5-diacetyloxy-3-hydroxy-7,8-dimethyl-1-[(E)-2-methylbut-2-enoxy]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate

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Overview

Molecular Formula C31H44O11
Molecular Weight 592.70 g/mol
Canonical SMILES CC=C(C)COC1C(C(C2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)C4CC5C=COC5O4)COC(=O)C)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy