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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030771

[(2R,3S,4S,5R,6S)-6-[(3aR,7R,7aR)-7-hydroxy-2,2,5,7-tetramethyl-1-oxospiro[3,7a-dihydroindene-6,1'-cyclopropane]-3a-yl]oxy-5-acetyloxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Formula: C32H40O11  |  Mol. Weight: 600.70 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[(3aR,7R,7aR)-7-hydroxy-2,2,5,7-tetramethyl-1-oxospiro[3,7a-dihydroindene-6,1'-cyclopropane]-3a-yl]oxy-5-acetyloxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C32H40O11
Molecular Weight 600.70 g/mol
Canonical SMILES CC1=CC2(CC(C(=O)C2C(C13CC3)(C)O)(C)C)OC4C(C(C(C(O4)CO)OC(=O)C=CC5=CC=C(C=C5)O)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy