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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034648

[(2S,3R,4S,5S,6R)-2-[2-[(1R,4S,4aR,7S,8aS)-4a-hydroxy-4,7-dimethyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]propan-2-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate

Formula: C30H42O9  |  Mol. Weight: 546.60 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-2-[2-[(1R,4S,4aR,7S,8aS)-4a-hydroxy-4,7-dimethyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]propan-2-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C30H42O9
Molecular Weight 546.60 g/mol
Canonical SMILES CC1CCC2(C(CCC(C2C1=O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=CC=C4)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy