| SpectraBase Spectrum ID |
8d3jafQRO9K |
| Name |
Isopimarol |
| CAS Registry Number |
1686-64-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32O |
| 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/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1 |
| InChIKey |
DUEINKIQNGZKPL-VYJAJWGXSA-N |
| Molecular Weight |
288.475 g/mol |
| SMILES |
OC[C@]1(C)CCC[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)CC3=CC[C@@]12[H] |
| SPLASH |
splash10-0a4l-9820000000-3724e184088fd8e29adc |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887559 |
