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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016936

4-[2-[(1R,4aS,6R,8aS)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

Formula: C26H40O8  |  Mol. Weight: 480.60 g/mol

IUPAC: 4-[2-[(1R,4aS,6R,8aS)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

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Overview

Molecular Formula C26H40O8
Molecular Weight 480.60 g/mol
Canonical SMILES CC1(C2CCC(=C)C(C2(CCC1OC3C(C(C(C(O3)CO)O)O)O)C)CCC4=CCOC4=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy