| SpectraBase Spectrum ID |
5tnPfFrHrHg |
| Name |
2.alpha.,3.alpha.,4.beta.-Trihydroxypregnan-16-one |
| Alternate Name(s) |
(2alpha,3alpha,4beta)-2,3,4-trihydroxypregnan-16-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14?,15+,17-,18-,19-,20-,21-/m1/s1 |
| InChIKey |
JHBBZIAPXDEPET-ZXDHEKFGSA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
O[C@@]1(C2[C@](C[C@]([C@]1(O)[H])(O)[H])([C@]1(CC[C@@]3([C@](C(C[C@]3([C@@]1(CC2)[H])[H])=O)(CC)[H])C)[H])C)[H] |
| SPLASH |
splash10-0ik9-0195000000-06eda506178ccb108c42 |
| Source of Spectrum |
X2-56-431-2 |
| Wiley ID |
1604801 |
