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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031576

[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,8,13-triacetyloxy-14-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate

Formula: C35H44O13  |  Mol. Weight: 672.70 g/mol

IUPAC: [(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,8,13-triacetyloxy-14-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate

Overview

Molecular Formula C35H44O13
Molecular Weight 672.70 g/mol
Canonical SMILES CC1C(C2C(C2(C)C)C(C(C(=CC34C(C(CC3(C1=O)O4)(C)O)OC(=O)C)C)OC(=O)C(C5=CC=C(C=C5)OC)O)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy