Spektraris NMR
Denticulatolide
Common Name: Denticulatolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13-6-9-20(25-16(4)23)22(5)11-10-18(27-28-22)14(2)7-8-17-15(3)21(24)26-19(17)12-13/h7,12,17-20H,3,6,8-11H2,1-2,4-5H3/b13-12+,14-7-/t17-,18-,19-,20+,22+/m0/s1
InChIKey: InChIKey=DCNHEHMOEMETOF-KYFHGQTHSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
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) | 44.5 |
| 2 (CH) | 79.3 |
| 3 (CH) | 123.3 |
| 4 (C) | 138.4 |
| 5 (CH2) | 35.5 |
| 6 (CH2) | 26 |
| 7 (CH) | 70.1 |
| 8 (C) | 80 |
| 9 (CH2) | 31 |
| 10 (CH2) | 24.7 |
| 11 (CH) | 84.2 |
| 12 (C) | 135.5 |
| 13 (CH) | 125.4 |
| 14 (CH2) | 28 |
| 15 (C) | 140.2 |
| 16 (C) | 170.3 |
| 17 (CH2) | 121.1 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 19.5 |
| 20 (CH3) | 24.3 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21 |
