| SpectraBase Spectrum ID |
CobDxGDKDyQ |
| Name |
Pregna-3,7,16-trien-20-one, 12-hydroxy-, (5.alpha.,12.beta.)- |
| CAS Registry Number |
114318-22-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-13(22)16-9-10-17-15-8-7-14-6-4-5-11-20(14,2)18(15)12-19(23)21(16,17)3/h4,6,8-9,14,17-19,23H,5,7,10-12H2,1-3H3/t14-,17+,18+,19-,20+,21-/m1/s1 |
| InChIKey |
POOPYLCCJAVEPI-AMXFCOLJSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
O[C@]1([C@]2([C@](C3=CC[C@@]4([C@@]([C@]3(C1)[H])(CCC=C4)C)[H])(CC=C2C(=O)C)[H])C)[H] |
| SPLASH |
splash10-004i-0190000000-867388c451c89d6d1913 |
| Source of Spectrum |
H-71-69-0 |
| Synonyms |
(+)-12.beta.-hydroxy-5.alpha.-pregna-3,7,16-trien-20-one
(+)-Agnatasterone B
(5alpha,12beta)-12-hydroxypregna-3,7,16-trien-20-one
Agnatasterone B |
| Wiley ID |
1313893 |
