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20α-Dihydro Pregnenolone-d5 3-Sulfate Sodium Salt , CAS No.131320-06-4
Basic Description
Synonyms | 20 | 20alpha-Dihydro Pregnenolone 3-Sulfate Sodium Salt | A-Dihydro Pregnenolone 3-Sulfate Sodium Salt | DTXSID50747635 | Sodium (3alpha,17xi,20S)-20-hydroxypregn-5-en-3-yl sulfate | Sodium;[(3R,8S,9S,10R,13S,14S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2 |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | sodium;[(3R,8S,9S,10R,13S,14S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate |
INCHI | InChI=1S/C21H34O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,13,15-19,22H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t13-,15+,16-,17?,18-,19-,20-,21+;/m0./s1 |
InChi Key | JLKPXOMJAHGBHE-KRTOWHFASA-M |
Canonical SMILES | CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C)O.[Na+] |
Isomeric SMILES | C[C@@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)O.[Na+] |
PubChem CID | 71316096 |
Molecular Weight | 420.54 |
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