Spektraris NMR
13-Acetoxysarcocrassolide
Common Name: 13-Acetoxysarcocrassolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13-8-6-10-14(2)19(25-16(4)23)20-17(15(3)21(24)26-20)12-18-22(5,27-18)11-7-9-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-9+,14-10+/t17-,18-,19-,20-,22-/m0/s1
InChIKey: InChIKey=YMKLZOPPOGQOLH-FJSKMCBKSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 36.9 |
| 2 (CH2) | 34.6 |
| 3 (CH) | 60 |
| 4 (C) | 60.4 |
| 5 (CH2) | 37.3 |
| 6 (CH2) | 23.4 |
| 7 (CH) | 122.9 |
| 8 (C) | 134.9 |
| 9 (CH2) | 37.8 |
| 10 (CH2) | 24.7 |
| 11 (CH) | 128.9 |
| 12 (C) | 128.4 |
| 13 (CH) | 77.2 |
| 14 (CH) | 80.8 |
| 15 (C) | 139.5 |
| 16 (C) | 169 |
| 17 (CH2) | 120.9 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 14.6 |
| 13a (C) | 169.2 |
| 13b (CH3) | 20.6 |
