119039-60-0
5ALPHA-ANDROSTAN-3ALPHA,17BETA-DIOL 17-SULPHATE SODIUM SALT
Name5ALPHA-ANDROSTAN-3ALPHA,17BETA-DIOL 17-SULPHATE SODIUM SALT
1Identification
【Name】
5ALPHA-ANDROSTAN-3ALPHA,17BETA-DIOL 17-SULPHATE SODIUM SALT
【CAS】
【MDL】
MFCD00271081
【English Synonyms】
【Formula】
C19 H31 O5 S . Na
【MolWeight】
394.505
【Inchi】
InChI=1S/C19H32O5S.Na/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18;/h12-17,20H,3-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t12-,13+,14-,15-,16-,17-,18-,19-;/m0./s1
【InChIKey】
InChIKey=ZVONNPKDWVXICQ-DHOMYXRUSA-M
【SMILES】
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)[O-])C)O.[Na+]
【MOL File】
5ALPHA-ANDROSTAN-3AL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5ALPHA-ANDROSTAN-3ALPHA,17BETA-DIOL 17-SULPHATE SODIUM SALT.cml