Spektraris NMR
Albaconal
Common Name: Albaconal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-14-11-16(23)15(17(24)12-14)13-19-21(4)9-6-8-20(2,3)18(21)7-10-22(19,5)25/h11-12,15-16,18-19,23-25H,6-10,13H2,1-5H3/t15?,16?,18-,19+,21-,22+/m0/s1
InChIKey: InChIKey=UPHCHGDONTVTTP-QIYIJKONSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ding, Z.W., Dong, Z.J., Liu, J.K. Helv Chim Acta (2001) 84, 259-62
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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 (CH2) | 38.6 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.7 |
| 4 (C) | 30.1 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 44.7 |
| 8 (C) | 75.5 |
| 9 (CH) | 61.5 |
| 10 (C) | 40 |
| 11 (CH2) | 18.7 |
| 12 (CH3) | 24.3 |
| 13 (CH3) | 33.8 |
| 14 (CH3) | 21.9 |
| 15 (CH3) | 15.4 |
| 1' (CH) | 114.2 |
| 2' (C) | 156.6 |
| 3' (CH) | 108.6 |
| 4' (C) | 136.6 |
| 5' (CH) | 108.6 |
| 6' (CH) | 156.6 |
| 4'a (CH3) | 21.1 |
