| SpectraBase Spectrum ID |
D9UU4xspoV7 |
| Name |
.alpha.-Chenopodiol-6-acetate |
| Alternate Name(s) |
Chenopodiol-6-acetate<.alpha.-> |
| CAS Registry Number |
67996-34-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C17H28O3/c1-11-7-6-9-17(5)10-8-13(16(3,4)19)15(14(11)17)20-12(2)18/h7,13-15,19H,6,8-10H2,1-5H3/t13-,14-,15+,17-/m1/s1 |
| InChIKey |
PIFGCYUFYJXQPT-PNBKFKSVSA-N |
| Molecular Weight |
280.408 g/mol |
| SMILES |
OC([C@]1([C@](OC(C)=O)([C@]2(C(=CCC[C@@]2(CC1)C)C)[H])[H])[H])(C)C |
| SPLASH |
splash10-052f-9600000000-7dc78f4fb8ea8846ac81 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1886086 |
