Spektraris NMR
6β-Hydroxyisovouacapenol C
Common Name: 6β-Hydroxyisovouacapenol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-11-12-6-9-24-14(12)10-13-15(11)16(21)17(22)20(23)18(2,3)7-5-8-19(13,20)4/h6,9,11,13,15-17,21-23H,5,7-8,10H2,1-4H3/t11-,13-,15-,16+,17+,19+,20+/m0/s1
InChIKey: InChIKey=WBGUAFQNFUICPH-RERXNMJGSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roach, J.S., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2003) 66, 1378-81
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) | 35 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 37.5 |
| 4 (C) | 39.2 |
| 5 (C) | 77.8 |
| 6 (CH) | 73.5 |
| 7 (CH) | 70 |
| 8 (CH) | 37.3 |
| 9 (CH) | 37.8 |
| 10 (C) | 40.7 |
| 11 (CH2) | 21.7 |
| 12 (C) | 149.6 |
| 13 (C) | 121.8 |
| 14 (CH) | 27.4 |
| 15 (CH) | 109.7 |
| 16 (CH) | 140.5 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 27.8 |
| 20 (CH3) | 25.6 |
