| SpectraBase Spectrum ID |
HJRbIO1B98U |
| Name |
5.beta.-Pregnane-3.alpha.,6.beta.,20.beta.-triol |
| Alternate Name(s) |
Pregnane-3,6,20-triol, (3.alpha.,5.beta.,6.beta.,20R)-
(3alpha,5beta,6beta,20S)-pregnane-3,6,20-triol
3.alpha.,6.beta.,20.beta.-trihydroxy-5.beta.-pregnane |
| CAS Registry Number |
4352-10-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14-,15+,16-,17-,18-,19+,20+,21+/m0/s1 |
| InChIKey |
SWHHMTKXNOSPLE-OSDPWTDDSA-N |
| Molecular Weight |
336.516 g/mol |
| SMILES |
O[C@]([C@@]1([C@]2(CC[C@]3([C@@](C[C@]([C@]4([C@@]3(CC[C@](C4)(O)[H])C)[H])(O)[H])([C@@]2(CC1)[H])[H])[H])C)[H])(C)[H] |
| SPLASH |
splash10-029t-9543000000-d98b37a6affbd2f0dda8 |
| Source of Spectrum |
O-13-451-2 |
| Wiley ID |
1332707 |
