| SpectraBase Spectrum ID |
IlHkUvn6reE |
| Name |
Allopregnanolone |
| Catalog Number |
16930 |
| Lot Number |
610159 |
| CAS Registry Number |
516-54-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
AURFZBICLPNKBZ-SYBPFIFISA-N |
| Molecular Weight |
318.501 g/mol |
| Purity |
>=95% |
| Quality |
1000 |
| SMILES |
O[C@@]1(CC[C@]2([C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(C(=O)C)[H])[H])C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-000x-9730000000-b9a2cb0e7e4b85868484 |
| Source of Spectrum |
CAY-2024-2304-0 |
| Synonyms |
3.alpha.,5.alpha.-tetrahydro Progesterone
3.alpha.,5.alpha.-THP
ALLO
Brexanolone
rac-1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one
1-[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one |
| Wiley ID |
1890486 |
