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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012057

(1S,7aS,11aS)-4-(hydroxymethyl)-8,8,11a-trimethyl-1,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one

Formula: C32H46O15  |  Mol. Weight: 670.70 g/mol

IUPAC: (1S,7aS,11aS)-4-(hydroxymethyl)-8,8,11a-trimethyl-1,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one

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Overview

Molecular Formula C32H46O15
Molecular Weight 670.70 g/mol
Canonical SMILES CC1(CCCC2(C1CCC3=C2C4=C(C(=C3OC5C(C(C(C(O5)CO)O)O)O)CO)C(=O)OC4OC6C(C(C(C(O6)CO)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy