Spektraris NMR
Crassolide
Common Name: Crassolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-6-5-7-14(2)9-11-18-20(4,23-18)12-17-16(10-8-13)15(3)19(21)22-17/h7-8,16-18H,3,5-6,9-12H2,1-2,4H3/b13-8+,14-7+/t16-,17-,18+,20+/m1/s1
InChIKey: InChIKey=YOAADYNXXZGBQN-JHGRZQMTSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Wang, S.K., Chung, S.G., Chou, G.C., Dai, C.F. J Nat Prod (2000) 63, 1634-7
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) | 44.3 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 119.5 |
| 4 (C) | 138.4 |
| 5 (CH2) | 36.4 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 125.5 |
| 8 (C) | 133.2 |
| 9 (CH2) | 38.9 |
| 10 (CH2) | 24.2 |
| 11 (CH) | 61.4 |
| 12 (C) | 60 |
| 13 (CH2) | 44.9 |
| 14 (CH) | 80 |
| 15 (C) | 137.9 |
| 16 (C) | 170.2 |
| 17 (CH2) | 121.8 |
| 18 (CH3) | 14.7 |
| 19 (CH3) | 14.7 |
| 20 (CH3) | 17.3 |
