| SpectraBase Spectrum ID |
LVHYsPY2NE8 |
| Name |
Stigmast-4-en-3-one |
| CAS Registry Number |
1058-61-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
412.370516165 u |
| Formula |
C29H48O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
RUVUHIUYGJBLGI-XJZKHKOHSA-N |
| Molecular Weight |
412.702 g/mol |
| Nominal Mass |
412 u |
| Number of Peaks |
255 |
| SMILES |
C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(CC3)=CC(CC2)=O)[H])[H])(CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H] |
| SPLASH |
splash10-0596-7940100000-cb562effa89926be743d |
| Source |
ex PARAFILM |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002061 |
