| SpectraBase Spectrum ID |
1K87NNjctk |
| Name |
(8S,20S)-des-A,B-8-benzoyloxy-20 -(hydroxymethyl)pregnane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 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-/m1/s1 |
| InChIKey |
YDGDTMZQDFVDCD-RDGCENLJSA-N |
| Instrument Name |
Kratos DS-50 TC |
| Ionization Type |
EI |
| Molecular Weight |
316.441 g/mol |
| Optical Rotation |
[a]D = +56.0 (c = 0.48, CHCl3) |
| SMILES |
OC[C@]([C@]1(CC[C@]2([C@](CCC[C@]12C)(OC(c1ccccc1)=O)[H])[H])[H])(C)[H] |
| SPLASH |
splash10-0a4u-0900000000-efc86f212224aceea202 |
| Source of Spectrum |
US7947666B2 |
| Wiley ID |
1861869 |
