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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034557

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

Formula: C30H42O8  |  Mol. Weight: 530.60 g/mol

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

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Overview

Molecular Formula C30H42O8
Molecular Weight 530.60 g/mol
Canonical SMILES CC(C)C1=CCC2(C(CCC(C2C1)(C)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=CC=C4)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy