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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033752

3-[(1R,2S,6R)-2-[2-[(1S,4aS,6R,8aR)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid

Formula: C36H58O8  |  Mol. Weight: 618.80 g/mol

IUPAC: 3-[(1R,2S,6R)-2-[2-[(1S,4aS,6R,8aR)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid

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Overview

Molecular Formula C36H58O8
Molecular Weight 618.80 g/mol
Canonical SMILES CC1=CCC(C(C1CCC2C(=C)CCC3C2(CCC(C3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)(C)CCC(=O)O)C(=C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy