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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001778

methyl (1aS,4S,4aS,7R,8S,8aR)-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-7-[(1R,6R)-1,5,5-trimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate

Formula: C33H44O13  |  Mol. Weight: 648.70 g/mol

IUPAC: methyl (1aS,4S,4aS,7R,8S,8aR)-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-7-[(1R,6R)-1,5,5-trimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate

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Overview

Molecular Formula C33H44O13
Molecular Weight 648.70 g/mol
Canonical SMILES CC1(C(C(C=CC1=O)(C)C2CCC3(C(OC(=O)C4C3(C2(C)C(=O)OC)O4)C5=COC=C5)C)COC6C(C(C(C(O6)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy