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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020084

methyl 2-[(1R,3R,4R,5S,7S,8S,9S,10S,11S,12S,16S)-4,5-diacetyloxy-12-(furan-3-yl)-10,16-dihydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate

Formula: C31H40O13  |  Mol. Weight: 620.60 g/mol

IUPAC: methyl 2-[(1R,3R,4R,5S,7S,8S,9S,10S,11S,12S,16S)-4,5-diacetyloxy-12-(furan-3-yl)-10,16-dihydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate

Overview

Molecular Formula C31H40O13
Molecular Weight 620.60 g/mol
Canonical SMILES CC(=O)OC1C2C(C(C(C1OC(=O)C)(C)C)CC(=O)OC)(C3C(C4(C(OC(=O)CC4(O2)C(C3=O)(C)O)C5=COC=C5)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy