| SpectraBase Spectrum ID |
CiPjOyfJ7R1 |
| Name |
(22E)-Des-A,B-25-(1-methylene-hexyl)-24-oxo-26,27-cyclo-22-dehydrocholestane-8.beta.-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O2 |
| InChI |
InChI=1S/C25H40O2/c1-5-6-7-9-19(3)25(16-17-25)23(27)14-11-18(2)20-12-13-21-22(26)10-8-15-24(20,21)4/h11,14,18,20-22,26H,3,5-10,12-13,15-17H2,1-2,4H3/b14-11+/t18-,20-,21+,22+,24-/m1/s1 |
| InChIKey |
NBQVGMQNJHPKKY-RZOKKYAMSA-N |
| Instrument Name |
??Micromass AutoSpec |
| Ionization Type |
EI |
| Molecular Weight |
372.593 g/mol |
| Optical Rotation |
[a]D = +25.2 (c = 0.90, CHCl3) |
| SMILES |
O[C@@]1([C@]2([C@](CCC1)([C@](CC2)([C@@](\C=C\C(C1(C(CCCCC)=C)CC1)=O)(C)[H])[H])C)[H])[H] |
| SPLASH |
splash10-0006-0941000000-5289002f18da47d4c0ca |
| Source of Spectrum |
WO2010006129A2 |
| Wiley ID |
1842721 |
