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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022463

[(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1-acetyloxy-10-hydroxy-9-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 3-methylbutanoate

Formula: C37H48O10  |  Mol. Weight: 652.80 g/mol

IUPAC: [(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1-acetyloxy-10-hydroxy-9-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 3-methylbutanoate

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Overview

Molecular Formula C37H48O10
Molecular Weight 652.80 g/mol
Canonical SMILES CC1C(C(C23C(C1(C)CCC(=C)C=C)CC(C=C2C(OC3OC(=O)C)OC)OC(=O)CC(C)C)O)OC(=O)C=CC4=CC=C(C=C4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy