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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014227

2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

Formula: C21H32O8  |  Mol. Weight: 412.50 g/mol

IUPAC: 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

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Overview

Molecular Formula C21H32O8
Molecular Weight 412.50 g/mol
Canonical SMILES CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy