Catalog Number:
AG00HBMX
Chemical Name:
Androst-5-en-17-one, 3-(sulfooxy)-, sodium salt, (3b)-
CAS Number:
1099-87-2
Molecular Formula:
C19H27NaO5S
Molecular Weight:
390.4694
MDL Number:
MFCD00010470
IUPAC Name:
sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
InChI:
InChI=1S/C19H28O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t13-,14-,15-,16-,18-,19-;/m0./s1
InChI Key:
GFJWACFSUSFUOG-ZJTJBYBXSA-M
SMILES:
O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-].[Na+]
EC Number:
214-152-2
UNII:
B9840IHU4T
