| SpectraBase Spectrum ID |
JdquToH895Z |
| Name |
Abieta-7,13-dien-3-one |
| CAS Registry Number |
29461-25-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O |
| 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/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h7,12-13,16-17H,6,8-11H2,1-5H3/t16-,17-,20+/m0/s1 |
| InChIKey |
BOPYLVIBVAFZAH-ABSDTBQOSA-N |
| Molecular Weight |
286.459 g/mol |
| SMILES |
CC(C)C=1CC[C@@]2([C@@]3(C)CCC(=O)C(C)(C)[C@@]3(CC=C2C1)[H])[H] |
| SPLASH |
splash10-000f-7920000000-d7870c51a13853fc7624 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887176 |
