Spektraris NMR
3β,6α-Dihydroxyvouacane
Common Name: 3β,6α-Dihydroxyvouacane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-11-12-6-8-23-16(12)10-14-13(11)9-15(21)18-19(2,3)17(22)5-7-20(14,18)4/h6,8,11,13-15,17-18,21-22H,5,7,9-10H2,1-4H3/t11-,13-,14-,15-,17-,18-,20+/m0/s1
InChIKey: InChIKey=RLJHFBCHKNTCGZ-VIVOUWGOSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mendes, F.N.P., Silveira, E.R. Phytochemistry (1994) 35, 1499-503
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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 (CH2) | 37.8 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 59.7 |
| 6 (CH) | 69.8 |
| 7 (CH2) | 42.4 |
| 8 (CH) | 35.6 |
| 9 (CH) | 44.6 |
| 10 (C) | 39.1 |
| 11 (CH2) | 22.5 |
| 12 (C) | 149.2 |
| 13 (C) | 122.3 |
| 14 (CH) | 31 |
| 15 (CH) | 109.4 |
| 16 (CH) | 140.6 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 31.4 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 15.5 |
