Spektraris NMR
Brassicolide
Common Name: Brassicolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-7-5-8-15(2)11-12-17(20(3,4)22)18-13-16(10-6-9-14)19(21)23-18/h8-9,13,17-18,22H,5-7,10-12H2,1-4H3/b14-9+,15-8+/t17-,18+/m1/s1
InChIKey: InChIKey=VIPUZYFCPBOJJF-KBKYDVLMSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Wang, S.K., Weng, Y.L., Chiang, M.Y., Dai, C.F. J Nat Prod (1999) 62, 1518-21
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) | 50.8 |
| 2 (CH) | 83.1 |
| 3 (CH) | 149.7 |
| 4 (C) | 133.1 |
| 5 (CH2) | 25 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 123.3 |
| 8 (C) | 133.2 |
| 9 (CH2) | 38.4 |
| 10 (CH2) | 25.2 |
| 11 (CH) | 126.9 |
| 12 (C) | 135.9 |
| 13 (CH2) | 39.4 |
| 14 (CH2) | 25.5 |
| 15 (C) | 73 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 26.4 |
| 18 (C) | 172.9 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 16 |
