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雌三醇三硫酸酯三钠盐
ESTRIOL TRISULFATE TRISODIUM SALT
Estra-1,3,5[10]-triene-3,16,17-triol Tris(hydrogensulfate) Trisodium Salt, Estriol Trisulfate Trisodium Salt
CAS号: 100940-55-4
IUPAC名称: 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
分子式: C18H21Na3O12S3
分子量: 594.51600
InChI: InChI=1S/C18H24O12S3.3Na/c1-18-7-6-13-12-5-3-11(28-31(19,20)21)8-10(12)2-4-14(13)15(18)9-16(29-32(22,23)24)17(18)30-33(25,26)27;;;/h3,5,8,13-17H,2,4,6-7,9H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3/t13-,14-,15+,16-,17+,18+;;;/m1.../s1
InChIKey: ACUPNXAJMLSZES-NXOIHXQRSA-K
SMILES: C[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+]
EINECS: -
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