| SpectraBase Spectrum ID |
Czi5P3yVAmw |
| Name |
(8S,20S)-des-A,B-8-benzoyloxy-20-[4'-hydroxy-4'-methyl-pent-(1'E)-en-yl]-pregnane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O3 |
| InChI |
InChI=1S/C25H36O3/c1-18(10-8-16-24(2,3)27)20-14-15-21-22(13-9-17-25(20,21)4)28-23(26)19-11-6-5-7-12-19/h5-8,10-12,18,20-22,27H,9,13-17H2,1-4H3/b10-8+/t18-,20+,21-,22-,25+/m0/s1 |
| InChIKey |
JSLLQDMKCUPBGJ-MRKZRYLZSA-N |
| Instrument Name |
Kratos DS-50 TC |
| Ionization Type |
EI |
| Molecular Weight |
384.560 g/mol |
| Optical Rotation |
[a]D = -25.1 (c = 2.5, CHCl3) |
| SMILES |
OC(C\C=C\[C@@]([C@]1(CC[C@]2([C@](CCC[C@]12C)(OC(c1ccccc1)=O)[H])[H])[H])(C)[H])(C)C |
| SPLASH |
splash10-0r70-0921000000-704f9b5d9ffa8ed4657c |
| Source of Spectrum |
US20110086824A1 |
| Wiley ID |
1861745 |
![(8S,20S)-des-A,B-8-benzoyloxy-20-[4'-hydroxy-4'-methyl-pent-(1'E)-en-yl]-pregnane](/api/spectrum/Czi5P3yVAmw/structure.png?h=300&w=458 "(8S,20S)-des-A,B-8-benzoyloxy-20-[4'-hydroxy-4'-methyl-pent-(1'E)-en-yl]-pregnane")
