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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026978

(1R,6R,8S,11R,12R,15R,16R)-6-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3-ene-12-carboxylic acid

Formula: C38H62O11  |  Mol. Weight: 694.90 g/mol

IUPAC: (1R,6R,8S,11R,12R,15R,16R)-6-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3-ene-12-carboxylic acid

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Overview

Molecular Formula C38H62O11
Molecular Weight 694.90 g/mol
Canonical SMILES CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC3C2CCC4C(=CCC(C4(C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C3)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy