| SpectraBase Spectrum ID |
3ptB91u6Ln2 |
| Name |
(8S,20R)-des-A,B-8-benzoyloxy-20 -(hydroxymethyl)pregnane |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-14(13-21)16-10-11-17-18(9-6-12-20(16,17)2)23-19(22)15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3/t14-,16+,17-,18-,20+/m0/s1 |
| InChIKey |
YDGDTMZQDFVDCD-PIUDJOPYSA-N |
| Instrument Name |
Kratos DS-50 TC |
| Ionization Type |
EI |
| Molecular Weight |
316.441 g/mol |
| Optical Rotation |
[a]D = +50.1 (c = 1.09, CHCl3) |
| SMILES |
OC[C@@]([C@@]1([C@]2(CCC[C@@]([C@@]2(CC1)[H])(OC(=O)c1ccccc1)[H])C)[H])(C)[H] |
| SPLASH |
splash10-0a4m-0910000000-94207bffc3d106d7c7e7 |
| Source of Spectrum |
US7947666B2 |
| Wiley ID |
1861871 |
