Spektraris NMR
(?)-(1R,6R,7S,10R)-11-oxocadinan-4-en-1-ol
Common Name: (?)-(1R,6R,7S,10R)-11-oxocadinan-4-en-1-ol
Synonyms: (?)-(1R,6R,7S,10R)-11-oxocadinan-4-en-1-ol
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-10(2)13-5-4-11(3)15(17)7-6-12(9-16)8-14(13)15/h8-11,13-14,17H,4-7H2,1-3H3/t11-,13+,14+,15-/m1/s1
InChIKey: InChIKey=DMCMOBXHHMUOPV-UQOMUDLDSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Song, F., Fan, X., Xu, X., Zhao, J., Yang, Y., Shi, J. J Nat Prod (2004) 67, 1644-9
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 (C) | 71.4 |
| 2 (CH2) | 31.7 |
| 3 (CH2) | 19 |
| 4 (C) | 141.9 |
| 5 (CH) | 150 |
| 6 (CH) | 48.4 |
| 7 (CH) | 39.5 |
| 8 (CH2) | 25 |
| 9 (CH2) | 30.7 |
| 10 (CH) | 41 |
| 11 (CH) | 26.8 |
| 12 (CH3) | 21.6 |
| 13 (CH3) | 15.2 |
| 14 (CH) | 194.6 |
| 15 (CH3) | 15.1 |
