Spektraris NMR
12-Acetoxyisocomene
Common Name: 12-Acetoxyisocomene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-12-6-9-16(11-19-14(3)18)13(2)10-15(4)7-5-8-17(12,15)16/h10,12H,5-9,11H2,1-4H3/t12-,15+,16-,17?/m0/s1
InChIKey: InChIKey=AOZWTIBLVKGJGN-RNIXDEKYSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Comey, N., Grey, A.I., Hook, I.L., James, P., Sheridan, H. Phytochemistry (1999) 50, 1057-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isocomanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 57.4 |
| 2 (CH) | 135.9 |
| 3 (C) | 139.2 |
| 4 (C) | 63.4 |
| 5 (CH2) | 31.6 |
| 6 (CH2) | 34 |
| 7 (CH) | 40.1 |
| 8 (C) | 64.6 |
| 9 (CH2) | 31.8 |
| 10 (CH2) | 24.3 |
| 11 (CH2) | 42.7 |
| 12 (CH3) | 23.7 |
| 13 (CH3) | 13.9 |
| 14 (CH2) | 67.8 |
| 15 (CH3) | 16.9 |
| 14a (C) | 171.4 |
| 14b (CH3) | 21.3 |
