| SpectraBase Spectrum ID |
DujzAduJ32k |
| Name |
5,6-Secocholest-2-en-6-al, 1-oxo-, 6-[(aminocarbonyl)hydrazone], (10.alpha.)- |
| CAS Registry Number |
117457-61-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H47N3O2 |
| InChI |
InChI=1S/C28H47N3O2/c1-19(2)9-8-10-20(3)22-12-13-23-21(15-18-30-31-26(29)33)24(14-17-27(22,23)4)28(5)16-7-6-11-25(28)32/h6,11,18-24H,7-10,12-17H2,1-5H3,(H3,29,31,33)/b30-18+/t20-,21?,22-,23+,24?,27-,28+/m1/s1 |
| InChIKey |
RAQYZWQCWLLHRW-AEJORCHZSA-N |
| Molecular Weight |
457.703 g/mol |
| SMILES |
N(C(=O)N)\N=C\CC1[C@]2([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CCC1[C@]1(C(C=CCC1)=O)C)C)[H] |
| SPLASH |
splash10-001i-9000000000-041e67a7e8ca0ab20495 |
| Source of Spectrum |
I-66-1216-19 |
| Synonyms |
(1E)-{(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-5-[(1S)-1-methyl-2-oxo-3-cyclohexen-1-yl]octahydro-1H-inden-4-yl}ethanal semicarbazone
5-Oxo-5,6-seco-cholest-3-en-6-al 6-semicarbazone |
| Wiley ID |
1389670 |
![5,6-Secocholest-2-en-6-al, 1-oxo-, 6-[(aminocarbonyl)hydrazone], (10.alpha.)-](/api/spectrum/DujzAduJ32k/structure.png?h=300&w=458 "5,6-Secocholest-2-en-6-al, 1-oxo-, 6-[(aminocarbonyl)hydrazone], (10.alpha.)-")
