Identification
Name |
(17alpha)-Estra-1,3,5(10),7-Tetraene-3,17-Diol 3-(Hydrogen Sulfate) Monosodium Salt |
Synonyms |
Sodium (13S,17R)-13-Methyl-3-Sulfoxy-6,9,11,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-17-Olate; Estra-1,3,5(10),7-Tetraene-3,17-Diol, 3-(Hydrogen Sulfate), Monosodium Salt, (17Alpha)- |
|
Molecular Structure |
 |
Molecular Formula |
C18H21NaO5S |
Molecular Weight |
372.41 |
CAS Registry Number |
56050-05-6 |
EINECS |
259-967-4 |
SMILES |
[C@]24(C(C1=CCC3=C(C1CC2)C=CC(=C3)O[S](=O)(=O)O)CC[C@H]4[O-])C.[Na+] |
InChI |
1S/C18H21O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16-17H,2,6-9H2,1H3,(H,20,21,22);/q-1;+1/t14?,16?,17-,18+;/m1./s1 |
InChIKey |
RTFCFYWYGHLFIY-WETCULGCSA-N |
|