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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039050

(4aR,5R,6R,7R,8aR)-7-[[(2S,3S,4S,4aS,8aS)-3,4-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-7-oxo-2,3,4a,8-tetrahydro-1H-naphthalen-2-yl]methyl]-5,6-dihydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4a,6,7,8-tetrahydro-1H-naphthalen-2-one

Formula: C31H48O8  |  Mol. Weight: 548.70 g/mol

IUPAC: (4aR,5R,6R,7R,8aR)-7-[[(2S,3S,4S,4aS,8aS)-3,4-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-7-oxo-2,3,4a,8-tetrahydro-1H-naphthalen-2-yl]methyl]-5,6-dihydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4a,6,7,8-tetrahydro-1H-naphthalen-2-one

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Overview

Molecular Formula C31H48O8
Molecular Weight 548.70 g/mol
Canonical SMILES CC12CC(C(C(C1C=C(C(=O)C2)C(C)(C)O)(C)O)O)CC3CC4(CC(=O)C(=CC4C(C3O)(C)O)C(C)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy