| SpectraBase Spectrum ID |
4nrMEjTFTKl |
| Name |
Callitrisin |
| CAS Registry Number |
72523-74-1 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| 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/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3/t10-,11-,12-,13-,15+/m1/s1 |
| InChIKey |
YYJRTJYCOMIDIC-HVNMYJMUSA-N |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Number of Peaks |
76 |
| SMILES |
[C@]12(OC([C@@]([C@]2(C[C@]2([C@](C1)(CCCC2=C)C)[H])[H])(C)[H])=O)[H] |
| SPLASH |
splash10-053u-8910000000-ecd63a522010517f5e48 |
| Source |
ex IAN SOUTHWELL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000242 |
![(3R,3aR,4aR,8aS,9aR)-3,8a-Dimethyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one](/api/spectrum/4nrMEjTFTKl/structure.png?h=300&w=458 "(3R,3aR,4aR,8aS,9aR)-3,8a-Dimethyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one")
