Spektraris NMR
9-deoxyxenialactol-C
Common Name: 9-deoxyxenialactol-C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-7-5-8-15(2)18-17(11-10-14)16(13-23-19(18)21)9-6-12-20(3,4)22/h6-7,9,12,17-19,21-22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,16-9-/t17-,18+,19+/m1/s1
InChIKey: InChIKey=GVOYGZRFVYIDGT-FZAJABQISA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Chiang, C.Y., Chu, C.J., Wang, S.K., Dai, C.F. J Nat Prod (2002) 65, 1882-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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) | 155.1 |
| 2 (CH) | 57.6 |
| 3 (CH) | 44.6 |
| 4 (CH2) | 35.6 |
| 5 (CH2) | 35.9 |
| 6 (C) | 135.6 |
| 7 (CH) | 124.3 |
| 8 (CH2) | 24.9 |
| 9 (CH2) | 40.4 |
| 10 (C) | 140.1 |
| 11 (CH) | 121.9 |
| 12 (CH) | 121.1 |
| 13 (CH) | 142 |
| 14 (C) | 71 |
| 15 (CH3) | 29.9 |
| 16 (CH3) | 30 |
| 17 (CH2) | 69.8 |
| 18 (CH) | 100 |
| 19 (CH2) | 110.7 |
| 20 (CH3) | 16.7 |
