| SpectraBase Spectrum ID |
A1eoFvQZ12d |
| Name |
(20R,22E)-Des-A,B-25-carbobutylsulfanyl-24-oxo-26,27-cyclo-22-dehydrocholestan-8.beta.-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36O3S |
| InChI |
InChI=1S/C23H36O3S/c1-4-5-15-27-21(26)23(13-14-23)20(25)11-8-16(2)17-9-10-18-19(24)7-6-12-22(17,18)3/h8,11,16-19,24H,4-7,9-10,12-15H2,1-3H3/b11-8+/t16-,17-,18+,19+,22-/m1/s1 |
| InChIKey |
CYVGSXXTPOGYAT-FTSPQAAPSA-N |
| Ionization Type |
EI |
| Molecular Weight |
392.598 g/mol |
| Optical Rotation |
[a]D = +42.2 (c = 0.85, CHCl3) |
| SMILES |
O[C@@]1([C@]2([C@](CCC1)([C@](CC2)([C@](C)(\C=C\C(C1(C(SCCCC)=O)CC1)=O)[H])[H])C)[H])[H] |
| SPLASH |
splash10-000i-0669000000-bcd20f81a3e9d7514dc9 |
| Source of Spectrum |
EP2714656A2 |
| Wiley ID |
1849828 |
