Spektraris NMR
(4S)-3a,10a,12,15-Tetrahydroxycadinane
Common Name: (4S)-3a,10a,12,15-Tetrahydroxycadinane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H28O4/c1-9-6-10-11(14(2,3)18)4-5-15(19,8-16)12(10)7-13(9)17/h9-13,16-19H,4-8H2,1-3H3/t9-,10-,11+,12+,13+,15-/m0/s1
InChIKey: InChIKey=VULXFWQKBVSDPX-BXCDGJFSSA-N
Formula: C15H28O4
Molecular Weight: 272.380999
Exact Mass: 272.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collins, D.O., Ruddock, P.L., Chiverton de Grasse, J., Reynolds, W.F., Reese, P.B. Phytochemistry (2002) 59, 479-88
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) | 39.9 |
| 2 (CH2) | 34.9 |
| 3 (CH) | 71.6 |
| 4 (CH) | 38.4 |
| 5 (CH2) | 33.7 |
| 6 (CH) | 41.5 |
| 7 (CH) | 39.3 |
| 8 (CH2) | 16.9 |
| 9 (CH2) | 30.6 |
| 10 (C) | 75.2 |
| 11 (C) | 76.1 |
| 12 (CH3) | 28.33 |
| 13 (CH3) | 28.29 |
| 14 (CH3) | 18.1 |
| 15 (CH2) | 66.1 |
