| SpectraBase Spectrum ID |
2gZXEMRGMHs |
| Name |
(8S,20R)-de-A,B-8-benzoyloxy-20-[(4S)-hydroxy-pent-(1E)-en-yl]pregnane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H34O3 |
| InChI |
InChI=1S/C24H34O3/c1-17(9-7-10-18(2)25)20-14-15-21-22(13-8-16-24(20,21)3)27-23(26)19-11-5-4-6-12-19/h4-7,9,11-12,17-18,20-22,25H,8,10,13-16H2,1-3H3/b9-7+/t17-,18+,20-,21+,22+,24-/m1/s1 |
| InChIKey |
YXSVMGOGJXOSAQ-AAWPXHQESA-N |
| Instrument Name |
Kratos DS-50 TC/Kratos MS-55 |
| Ionization Type |
EI |
| Molecular Weight |
370.533 g/mol |
| Optical Rotation |
[a]D = +98.7 (c = 1.75, CHCl3) |
| SMILES |
O[C@](C\C=C\[C@]([C@@]1([C@]2(CCC[C@@]([C@@]2(CC1)[H])(OC(c1ccccc1)=O)[H])C)[H])(C)[H])(C)[H] |
| SPLASH |
splash10-0bti-0920000000-f61d25b6220b61635d6c |
| Source of Spectrum |
US7741314B2 |
| Wiley ID |
1844184 |
![(8S,20R)-de-A,B-8-benzoyloxy-20-[(4S)-hydroxy-pent-(1E)-en-yl]pregnane](/api/spectrum/2gZXEMRGMHs/structure.png?h=300&w=458 "(8S,20R)-de-A,B-8-benzoyloxy-20-[(4S)-hydroxy-pent-(1E)-en-yl]pregnane")
