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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020079

methyl 2-[(1S,3R,4S,7S,8R,10R,11S,12S,13R)-4,11-diacetyloxy-13-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate

Formula: C31H38O13  |  Mol. Weight: 618.60 g/mol

IUPAC: methyl 2-[(1S,3R,4S,7S,8R,10R,11S,12S,13R)-4,11-diacetyloxy-13-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate

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Overview

Molecular Formula C31H38O13
Molecular Weight 618.60 g/mol
Canonical SMILES CC(=O)OC1CC(C(C2(C1OC34CC(=O)OC(C3(C(C(C4=C)C2=O)OC(=O)C)C)C5=CC(OC5=O)O)C)CC(=O)OC)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy