Spektraris NMR
Isovouacapenol B
Common Name: Isovouacapenol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O5/c1-24(2)12-8-13-25(3)19-15-21-18(11-14-31-21)26(4,29)20(19)16-22(27(24,25)30)32-23(28)17-9-6-5-7-10-17/h5-7,9-11,14,19-20,22,29-30H,8,12-13,15-16H2,1-4H3/t19-,20+,22+,25+,26+,27+/m0/s1
InChIKey: InChIKey=AJGZFQDMKBTWTH-GGUBNDNLSA-N
Formula: C27H34O5
Molecular Weight: 438.556879
Exact Mass: 438.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ragasa, C.Y., Hofilena, J.G., Rideout, J.A. J Nat Prod (2002) 65, 1107-10
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) | 34.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 38.1 |
| 4 (C) | 39 |
| 5 (C) | 76.3 |
| 6 (CH) | 72.3 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 40.3 |
| 9 (CH) | 41.2 |
| 10 (C) | 41.5 |
| 11 (CH2) | 21.7 |
| 12 (C) | 149.4 |
| 13 (C) | 124.9 |
| 14 (C) | 71.6 |
| 15 (CH) | 107.3 |
| 16 (CH) | 141.3 |
| 17 (CH3) | 25.3 |
| 18 (CH3) | 25.9 |
| 19 (CH3) | 27.6 |
| 20 (CH3) | 17.2 |
| 6a (C) | 165.7 |
| 6b (C) | 130.5 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.5 |
| 6e (CH) | 133.4 |
| 6f (CH) | 128.5 |
| 6g (CH) | 129.7 |
