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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002272

2-[(2R,5R,6R,8aS)-2-[(1S)-2-[2-[(2R,4aS,5R,6S)-6-(2-carboxypropan-2-yl)-2-ethenyl-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]acetyl]oxy-1-hydroxyethyl]-5-(carboxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid

Formula: C40H64O11  |  Mol. Weight: 720.90 g/mol

IUPAC: 2-[(2R,5R,6R,8aS)-2-[(1S)-2-[2-[(2R,4aS,5R,6S)-6-(2-carboxypropan-2-yl)-2-ethenyl-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]acetyl]oxy-1-hydroxyethyl]-5-(carboxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid

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Overview

Molecular Formula C40H64O11
Molecular Weight 720.90 g/mol
Canonical SMILES CC1(CCC2C(O1)(CCC(C2(C)CC(=O)OCC(C3(CCC4C(O3)(CCC(C4(C)CC(=O)O)C(C)(C)C(=O)O)C)C)O)C(C)(C)C(=O)O)C)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy