Spektraris NMR
(5S*,6S*,7S*,9R*,10S*)-7-Hydroxy-5,7-epidioxycadinan-3-ene-2-one
Common Name: (5S*,6S*,7S*,9R*,10S*)-7-Hydroxy-5,7-epidioxycadinan-3-ene-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8(2)13-14-6-10(4)12(16)5-11(14)9(3)7-15(13,17)19-18-14/h6,8-9,11,13,17H,5,7H2,1-4H3/t9-,11+,13+,14-,15+/m1/s1
InChIKey: InChIKey=ZSVCGCOGCNUDIK-BUNRJADRSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhao, X., Zheng, G.W., Niu, X.M., Li, W.Q., Wang, F.S., Li, S.H. J Agric Food Chem (2009) 57, 478-82
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 48.7 |
| 2 (CH2) | 38.4 |
| 3 (C) | 198.8 |
| 4 (C) | 134.7 |
| 5 (CH) | 141.3 |
| 6 (C) | 86 |
| 7 (CH) | 62.6 |
| 8 (C) | 108.8 |
| 9 (CH2) | 48 |
| 10 (CH) | 32.1 |
| 11 (CH) | 25.7 |
| 12 (CH3) | 19.5 |
| 13 (CH3) | 21.3 |
| 14 (CH3) | 16.4 |
| 15 (CH3) | 18.3 |
