| SpectraBase Spectrum ID |
HHJozCsQCMX |
| Name |
2,3,4-Trihydroxy-pregnan-16-one |
| Alternate Name(s) |
(8R,9S,10R,13S,14S,17R)-17-ethyl-10,13-dimethyl-2,3,4-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-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-WKBNHCPHSA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
OC1C(C(C[C@]2(C1CC[C@@]1([C@@]2(CC[C@@]2([C@](C(C[C@@]12[H])=O)(CC)[H])C)[H])[H])C)O)O |
| SPLASH |
splash10-01qj-0096000000-73047fa1b396f488fb87 |
| Source of Spectrum |
X2-54-977-9 |
| Wiley ID |
1604088 |
