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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031382

methyl 3-[(3S,3aS,5aR,6R,7R,9bS)-7-(2-hydroxypropan-2-yl)-3a,6,9b-trimethyl-3-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoate

Formula: C31H54O6  |  Mol. Weight: 522.80 g/mol

IUPAC: methyl 3-[(3S,3aS,5aR,6R,7R,9bS)-7-(2-hydroxypropan-2-yl)-3a,6,9b-trimethyl-3-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoate

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Overview

Molecular Formula C31H54O6
Molecular Weight 522.80 g/mol
Canonical SMILES CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC(C3(C)CCC(=O)OC)C(C)(C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy