| SpectraBase Spectrum ID |
EYpasjtRTAJ |
| Name |
Cholest-7-en-6-one, 3-(formyloxy)-, (3.alpha.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.329045274 u |
| Formula |
C28H44O3 |
| InChI |
InChI=1S/C28H44O3/c1-18(2)7-6-8-19(3)22-9-10-23-21-16-26(30)25-15-20(31-17-29)11-13-28(25,5)24(21)12-14-27(22,23)4/h16-20,22-25H,6-15H2,1-5H3/t19-,20-,22-,23?,24?,25-,27-,28-/m1/s1 |
| InChIKey |
BDGNSJKKGPXLSY-OLLNWVSASA-N |
| Molecular Weight |
428.657 g/mol |
| SMILES |
C1=2C([C@]3(CC[C@](C[C@@]3(C(C2)=O)[H])(OC=O)[H])C)CC[C@]2(C1CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940698 |
