| SpectraBase Spectrum ID |
1TYZQ7ouE6m |
| Name |
2.alpha.,3.beta.,12.beta.-Trihydroxypregna-4,7-dien-20-one |
| Alternate Name(s) |
(2alpha,3beta,12beta)-2,3,12-trihydroxypregna-4,7-dien-20-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5,8,14-19,23-25H,4,6-7,9-10H2,1-3H3/t14-,15+,16+,17-,18-,19-,20+,21-/m1/s1 |
| InChIKey |
NKARAGRVHGKUSJ-WQLGSRDQSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
O[C@]1([C@@]2([C@](CC[C@]2(C2=CCC=3[C@](C[C@]([C@@](C3)(O)[H])(O)[H])([C@]2(C1)[H])C)[H])(C(C)=O)[H])C)[H] |
| SPLASH |
splash10-0006-9200000000-9f6704c87edea7945aef |
| Source of Spectrum |
X2-50-72-5 |
| Wiley ID |
1602143 |
