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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037419

[(1S,2S,3R,4S,7R,9S,10S,11R,12R,15R)-2,4,9,11-tetraacetyloxy-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.01,13.03,10.04,7]octadec-13-en-12-yl] benzoate

Formula: C35H42O12  |  Mol. Weight: 654.70 g/mol

IUPAC: [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15R)-2,4,9,11-tetraacetyloxy-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.01,13.03,10.04,7]octadec-13-en-12-yl] benzoate

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Overview

Molecular Formula C35H42O12
Molecular Weight 654.70 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC4C(C3C(C25CC1OC5(C)C)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C6=CC=CC=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy