Products 1422676-39-8

CAS 1422676-39-8 is the registry number for Eribulin Impurity 25. Offered by: Chemat Brand. Available pack sizes: on request.

Eribulin Impurity 25
Chemat Brand
  • size: on request
  • Variants: 2
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Structural formula: {0} (CAS {1})

(1R,2S,3S,4S,5S,6S,11S,14S,17S,19R,21R,23S,25R,26R,27S,31R,34S)-25-[(2S)-2,3-dihydroxypropyl]-2,5-dihydroxy-26-methoxy-19-methyl-13,20-dimethylidene-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacontane-8,29-dione (CAS 1422676-39-8) is a chemical compound with the molecular formula C40H60O13 and a molecular weight of 748.9 g/mol. IUPAC name: (1R,2S,3S,4S,5S,6S,11S,14S,17S,19R,21R,23S,25R,26R,27S,31R,34S)-25-[(2S)-2,3-dihydroxypropyl]-2,5-dihydroxy-26-methoxy-19-methyl-13,20-dimethylidene-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacontane-8,29-dione. InChIKey: DRIHUUFRFITXNV-GBNLWXBRSA-N.

Identity
Molecular formulaC40H60O13
Molecular weight748.9 g/mol
IUPAC name(1R,2S,3S,4S,5S,6S,11S,14S,17S,19R,21R,23S,25R,26R,27S,31R,34S)-25-[(2S)-2,3-dihydroxypropyl]-2,5-dihydroxy-26-methoxy-19-methyl-13,20-dimethylidene-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacontane-8,29-dione
InChIKeyDRIHUUFRFITXNV-GBNLWXBRSA-N
SMILESC[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CCC(=O)C[C@H]4[C@@H]([C@H]5[C@@H](O4)[C@H]([C@@H]6[C@@H](O5)CC[C@@H](O6)CC(=O)C[C@H]7[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]7OC)C[C@@H](CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Eribulin Impurity 25