| SpectraBase Spectrum ID |
A7X3MIRUTkk |
| Name |
5.beta.-Pregnane-3.alpha.,11.beta.,20.alpha.-triol |
| Alternate Name(s) |
Pregnane-3,11,20-triol, (3.alpha.,5.beta.,11.beta.,20S)- |
| CAS Registry Number |
6799-20-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1 |
| InChIKey |
CZHLKVQGWWCQEG-RQTZUPFWSA-N |
| Molecular Weight |
336.516 g/mol |
| SMILES |
O[C@]1(C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]([C@@](O)(C)[H])(CC4)[H])(C[C@@]3(O)[H])C)[H])(CC2)[H])[H])(CC1)C)[H])[H] |
| SPLASH |
splash10-01qa-0981000000-0dbe6d74501f0ec7ac4e |
| Source of Spectrum |
AH-106-1426-46 |
| Wiley ID |
1332709 |
