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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007631

2-[(3S,3aR,5aR,6R,7R,9aR,9bR)-6-(2,2-dimethoxyethyl)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid

Formula: C32H56O6  |  Mol. Weight: 536.80 g/mol

IUPAC: 2-[(3S,3aR,5aR,6R,7R,9aR,9bR)-6-(2,2-dimethoxyethyl)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid

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Overview

Molecular Formula C32H56O6
Molecular Weight 536.80 g/mol
Canonical SMILES CC12CCC(C1CCC3C2(CCC(C3(C)CC(OC)OC)C(C)(C)C(=O)O)C)C4(CCC(O4)C(C)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy