BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017882

Caseargrewiin B

Formula: C37H46O11  |  Mol. Weight: 666.80 g/mol

IUPAC: [(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-diacetyloxy-10-hydroxy-9-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

3D View Find Similar

Overview

Molecular Formula C37H46O11
Molecular Weight 666.80 g/mol
Canonical SMILES CCCC(=O)OC1CC2C(C(C(C(C23C(OC(C3=C1)OC(=O)C)OC(=O)C)O)OC(=O)C=CC4=CC=C(C=C4)O)C)(C)CC=C(C)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy