Spektraris NMR
(+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol
Common Name: (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol
Synonyms: (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-9-7-8-15(18)10(2)5-6-11(14(3,4)17)12(15)13(9)16/h10-13,16-18H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15-/m1/s1
InChIKey: InChIKey=QKNTUHOWMWQXOD-XLFUENPSSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
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) | 72.2 |
| 2 (CH2) | 39 |
| 3 (CH2) | 30.5 |
| 4 (C) | 151.3 |
| 5 (CH) | 76.7 |
| 6 (CH) | 60.2 |
| 7 (CH) | 47.3 |
| 8 (CH2) | 27 |
| 9 (CH2) | 31.9 |
| 10 (CH) | 41.8 |
| 11 (C) | 82.8 |
| 12 (CH3) | 30.5 |
| 13 (CH3) | 25.3 |
| 14 (CH2) | 101 |
| 15 (CH3) | 13.9 |
