| SpectraBase Spectrum ID |
AE3rNStaADY |
| Name |
5a,14b-pregnane-3b,11a-diol |
| Alternate Name(s) |
(3beta,5alpha,11alpha,14beta)-pregnane-3,11-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18+,19+,20-,21+/m0/s1 |
| InChIKey |
IOILQJHGPBLKBM-JKTJFRMLSA-N |
| Molecular Weight |
320.517 g/mol |
| SMILES |
O[C@]1([C@@]2([C@]3(CC[C@@](C[C@@]3(CC[C@]2([C@@]2([C@](C1)([C@](CC2)(CC)[H])C)[H])[H])[H])(O)[H])C)[H])[H] |
| SPLASH |
splash10-0a4i-5921000000-0bdcc0bdf3e5392ec787 |
| Source of Spectrum |
SD-1992-0-0 |
| Wiley ID |
1320593 |
