| SpectraBase Spectrum ID |
6XzPNCTcCGk |
| Name |
5,6-Secocholest-2-en-6-al-6-d, 1-oxo-, (10.alpha.)- |
| Alternate Name(s) |
5-Oxo-5,6-seco-cholest-3-en-(6-deutero)-6-al |
| CAS Registry Number |
117457-65-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H43DO2 |
| InChI |
InChI=1S/C27H44O2/c1-19(2)9-8-10-20(3)22-12-13-23-21(15-18-28)24(14-17-26(22,23)4)27(5)16-7-6-11-25(27)29/h6,11,18-24H,7-10,12-17H2,1-5H3/t20-,21?,22-,23+,24?,26-,27+/m1/s1/i18D |
| InChIKey |
XIHFBYUJTVFSOV-ZSHCSFMHSA-N |
| Molecular Weight |
401.653 g/mol |
| SMILES |
[C@@]12([C@](C(CC(=O)[2D])C(CC2)[C@]2(C(C=CCC2)=O)C)(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-03di-0900000000-1add613f330ba6c9bc7e |
| Source of Spectrum |
I-66-1217-27 |
| Wiley ID |
1369752 |
