Spektraris NMR
(+)-(1R,5R,6R,7S,10R)-cadinan-3-ene-1,5-diol
Common Name: (+)-(1R,5R,6R,7S,10R)-cadinan-3-ene-1,5-diol
Synonyms: (+)-(1R,5R,6R,7S,10R)-cadinan-3-ene-1,5-diol
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-9(2)12-6-5-11(4)15(17)8-7-10(3)14(16)13(12)15/h7,9,11-14,16-17H,5-6,8H2,1-4H3/t11-,12+,13-,14+,15-/m1/s1
InChIKey: InChIKey=DICWRYPRNPIQED-QKGCVVFFSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
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) | 74.3 |
| 2 (CH2) | 37.7 |
| 3 (CH) | 124.3 |
| 4 (C) | 134.6 |
| 5 (CH) | 86.7 |
| 6 (CH) | 45.4 |
| 7 (CH) | 44.3 |
| 8 (CH2) | 25.1 |
| 9 (CH2) | 31.3 |
| 10 (CH) | 42.3 |
| 11 (CH) | 27.6 |
| 12 (CH3) | 16.2 |
| 13 (CH3) | 22.5 |
| 14 (CH3) | 20.3 |
| 15 (CH3) | 15 |
