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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011565

3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-3-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

Formula: C35H58O9  |  Mol. Weight: 622.80 g/mol

IUPAC: 3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-3-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

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Overview

Molecular Formula C35H58O9
Molecular Weight 622.80 g/mol
Canonical SMILES CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CC(C3C2(CCC3C(C)(CC=CC(C)(C)O)O)C)OC4C(C(C(CO4)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy