Spektraris NMR
7-Keto-isovouacapenol C
Common Name: 7-Keto-isovouacapenol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O5/c1-16-18-11-14-31-20(18)15-19-21(16)22(28)23(32-24(29)17-9-6-5-7-10-17)27(30)25(2,3)12-8-13-26(19,27)4/h5-7,9-11,14,16,19,21,23,30H,8,12-13,15H2,1-4H3/t16-,19-,21-,23+,26+,27+/m0/s1
InChIKey: InChIKey=KVQBWDDSYPBLLT-GQHSXVDISA-N
Formula: C27H32O5
Molecular Weight: 436.540998
Exact Mass: 436.224974
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) | 36.1 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 38 |
| 4 (C) | 38.8 |
| 5 (C) | 78.2 |
| 6 (CH) | 74.5 |
| 7 (C) | 284.9 |
| 8 (CH) | 47.9 |
| 9 (CH) | 39.3 |
| 10 (C) | 40 |
| 11 (CH2) | 23.3 |
| 12 (C) | 148 |
| 13 (C) | 122.1 |
| 14 (CH) | 27.5 |
| 15 (CH) | 100.5 |
| 16 (CH) | 140.9 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 18.7 |
| 19 (CH3) | 27.4 |
| 20 (CH3) | 25 |
| 6a (C) | 164.9 |
| 6b (C) | 129.4 |
| 6c (CH) | 29.7 |
| 6d (CH) | 128.6 |
| 6e (CH) | 133.5 |
| 6f (CH) | 128.6 |
| 6g (CH) | 29.7 |
