Synonym: Estra-1,3,5(10)-trien-17-one-2,4,16,16-d4, 3-(sulfooxy)-, sodium salt)
CAS Number: 285979-80-8
Empirical Formula (Hill Notation): C18D4H17NaO5S
Molecular Weight: 376.44
MDL Number: MFCD01317421
Linear Formula: C18D4H17NaO5S
Product Type: Chemical
assay |
≥99% (CP) |
contains |
35% TRIS-d5 as stabilizer |
InChI |
1S/C18H22O5S.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;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1/i3D,7D2,10D; |
InChI key |
VUCAHVBMSFIGAI-IGBMKMNFSA-M |
isotopic purity |
≥95 atom % D |
mass shift |
M+4 |
mp |
300 °C (lit.) |
Quality Level |
200 |
SMILES string |
[Na+].[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1OS([O-])(=O)=O |
storage temp. |
−20°C |
technique(s) |
mass spectrometry (MS): suitable |
Packaging: |
100 mg in glass bottle |
Packaging: |
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service . |
Purity |
≥99% (CP) |
mp |
300 °C (lit.) |
Storage Temp. |
−20°C |
UNSPSC |
12352200 |