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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006621

methyl 2-[(1S,2S)-2-[(1aR,3S,3aS,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

Formula: C29H36O7  |  Mol. Weight: 496.60 g/mol

IUPAC: methyl 2-[(1S,2S)-2-[(1aR,3S,3aS,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

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Overview

Molecular Formula C29H36O7
Molecular Weight 496.60 g/mol
Canonical SMILES CC(=O)OC1CC2(C(CC3C2(O3)C(=C)C1C4(C=CC(=O)C(C4CC(=O)OC)(C)C)C)C5=COC=C5)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy