methyl (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

HCID 178966088

HCID 178966088

Grundinformationen

Standard-SMILES: COC(=O)[C@]12OC[C@@]34[C@@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
InChIKey: IPVONKABOQLBGH-OUWPDDTMSA-N
Summenformel: C29H40O16
Durchschnittliche Molmasse: 644,6 g/mol
Monoisotopische Masse: 644,2316352

Bevorzugter Name: methyl (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
IUPAC: methyl (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

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