Spektraris NMR
Isovouacapenol C monoacetate
Common Name: Isovouacapenol C monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O6/c1-17-20-12-15-33-22(20)16-21-23(17)24(34-18(2)30)25(35-26(31)19-10-7-6-8-11-19)29(32)27(3,4)13-9-14-28(21,29)5/h6-8,10-12,15,17,21,23-25,32H,9,13-14,16H2,1-5H3/t17-,21-,23-,24+,25+,28+,29+/m0/s1
InChIKey: InChIKey=OJOSBMVYVXAJPS-RTRKEQCHSA-N
Formula: C29H36O6
Molecular Weight: 480.593638
Exact Mass: 480.251189
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) | 8.1 |
| 3 (CH2) | 37.6 |
| 4 (C) | 39.3 |
| 5 (C) | 77.5 |
| 6 (CH) | 70.8 |
| 7 (CH) | 71.6 |
| 8 (CH) | 35.5 |
| 9 (CH) | 37.1 |
| 10 (C) | 41.1 |
| 11 (CH2) | 21.7 |
| 12 (C) | 149.2 |
| 13 (C) | 121.6 |
| 14 (CH) | 27.4 |
| 15 (CH) | 109.5 |
| 16 (CH) | 140.6 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 25.5 |
| 19 (CH3) | 18 |
| 20 (CH3) | 27.8 |
| 6a (C) | 166.2 |
| 6b (C) | 130.1 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.6 |
| 6e (CH) | 133.2 |
| 6f (CH) | 128.6 |
| 6g (CH) | 129.7 |
| 7a (C) | 170.6 |
| 7b (CH3) | 20.9 |
