Products 100940-55-4

CAS 100940-55-4 appears in our catalog under these names: Estriol Impurity 20, Estriol Trisulfate Trisodium Salt, >95% (HPLC). Offered by: Hubei YoungXin, TRC. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, 5mg.

Estriol Impurity 20
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Estriol Trisulfate Trisodium Salt, >95% (HPLC)
TRC
  • size: 25mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Trisodium;[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfate (CAS 100940-55-4) is a chemical compound with the molecular formula C18H21Na3O12S3 and a molecular weight of 594.5 g/mol. IUPAC name: trisodium;[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfate. InChIKey: ACUPNXAJMLSZES-NXOIHXQRSA-K.

Identity
Molecular formulaC18H21Na3O12S3
Molecular weight594.5 g/mol
IUPAC nametrisodium;[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfate
InChIKeyACUPNXAJMLSZES-NXOIHXQRSA-K
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OS(=O)(=O)[O-])OS(=O)(=O)[O-])CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Estriol Trisulfate Trisodium Salt, C18H21Na3O12S3, Trisodium (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triyl trisulfate, Trisodium 16alpha,17beta-estra-1,3,5(10)-triene-3,16,17-triyl trisulfate