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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012581

methyl 2-[(1S,3S,5S,7S,8S,11S,12S,13S,16S)-5,11-diacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate

Formula: C43H60O20  |  Mol. Weight: 896.90 g/mol

IUPAC: methyl 2-[(1S,3S,5S,7S,8S,11S,12S,13S,16S)-5,11-diacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate

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Overview

Molecular Formula C43H60O20
Molecular Weight 896.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(=O)OC(C4(C35C(=C)C(CC4OC(=O)C)C6(C(O5)CC(C(C6CC(=O)OC)(C)C)OC(=O)C)C)C)C7=COC=C7)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy