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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008148

[(1R,2R,3S,4S,4aR,6S,8R,8aS)-4-[(3aR,5S,6aS)-3a-hydroxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-5-yl]-1,6,8-trihydroxy-8-(hydroxymethyl)-3,4,8a-trimethyl-5-oxo-1,2,3,4a,6,7-hexahydronaphthalen-2-yl] (E)-3-phenylprop-2-enoate

Formula: C29H38O10  |  Mol. Weight: 546.60 g/mol

IUPAC: [(1R,2R,3S,4S,4aR,6S,8R,8aS)-4-[(3aR,5S,6aS)-3a-hydroxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-5-yl]-1,6,8-trihydroxy-8-(hydroxymethyl)-3,4,8a-trimethyl-5-oxo-1,2,3,4a,6,7-hexahydronaphthalen-2-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C29H38O10
Molecular Weight 546.60 g/mol
Canonical SMILES CC1C(C(C2(C(C1(C)C3CC4(CCOC4O3)O)C(=O)C(CC2(CO)O)O)C)O)OC(=O)C=CC5=CC=CC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy