| SpectraBase Spectrum ID |
2cW7dIzJsIO |
| Name |
5-Formyl-4-oxacholestane-3-one |
| Alternate Name(s) |
(4aR,4bS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-2-oxotetradecahydroindeno[5,4-f]chromene-11a(2H)-carbaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-18(2)7-6-8-19(3)21-9-10-22-20-11-16-27(17-28)26(5,15-13-24(29)30-27)23(20)12-14-25(21,22)4/h17-23H,6-16H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27?/m1/s1 |
| InChIKey |
HBORGSWVOMRRHL-FPOLBMIWSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4([C@@]([C@]3(CC2)[H])(CCC(=O)O4)C)C=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-000i-0019000000-acc951a96eb1a074776c |
| Source of Spectrum |
F-53-10576-12 |
| Wiley ID |
803160 |
