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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007014

[(4S,4aS,5R,6S,8aR,9aR)-9a-methoxy-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

Formula: C25H34O7S  |  Mol. Weight: 478.60 g/mol

IUPAC: [(4S,4aS,5R,6S,8aR,9aR)-9a-methoxy-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C25H34O7S
Molecular Weight 478.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy