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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016043

(4S,4aS,5R,6R,6aS,7R,11aS,11bR)-6-acetyloxy-5-benzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid

Formula: C29H34O8  |  Mol. Weight: 510.60 g/mol

IUPAC: (4S,4aS,5R,6R,6aS,7R,11aS,11bR)-6-acetyloxy-5-benzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid

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Overview

Molecular Formula C29H34O8
Molecular Weight 510.60 g/mol
Canonical SMILES CC1C2C(CC3=C1C=CO3)C4(CCCC(C4(C(C2OC(=O)C)OC(=O)C5=CC=CC=C5)O)(C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy