Spektraris NMR
(-)-14-Deoxycrassin
Common Name: (-)-14-Deoxycrassin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-7-5-8-15(2)10-11-17-13-18(23-19(21)16(17)3)20(4,22)12-6-9-14/h8-9,17-18,22H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+/t17-,18-,20+/m1/s1
InChIKey: InChIKey=VCLOBFBJUDXQFF-UMFKFABWSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Wen, T., Ding, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1133-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 33.4 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 82.7 |
| 4 (C) | 73.7 |
| 5 (CH2) | 38.7 |
| 6 (CH2) | 22.3 |
| 7 (CH) | 125.6 |
| 8 (C) | 134.1 |
| 9 (CH2) | 39.9 |
| 10 (CH2) | 24.2 |
| 11 (CH) | 126.2 |
| 12 (C) | 131.9 |
| 13 (CH2) | 35.9 |
| 14 (CH2) | 31.1 |
| 15 (C) | 140 |
| 16 (C) | 166 |
| 17 (CH2) | 125.7 |
| 18 (CH3) | 24.6 |
| 19 (CH3) | 14.5 |
| 20 (CH3) | 13.5 |
