Spektraris NMR
Isovouacapenol A
Common Name: Isovouacapenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O4/c1-17-19-11-14-30-22(19)16-21-20(17)15-23(31-24(28)18-9-6-5-7-10-18)27(29)25(2,3)12-8-13-26(21,27)4/h5-7,9-11,14,20-21,23,29H,1,8,12-13,15-16H2,2-4H3/t20-,21-,23+,26+,27+/m0/s1
InChIKey: InChIKey=CAKOAOJDETWCQH-BSMIGITPSA-N
Formula: C27H32O4
Molecular Weight: 420.541593
Exact Mass: 420.23006
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) | 34.5 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 38 |
| 4 (C) | 38.9 |
| 5 (C) | 76.1 |
| 6 (CH) | 72.3 |
| 7 (CH2) | 31.6 |
| 8 (CH) | 31.6 |
| 9 (CH) | 44.1 |
| 10 (C) | 41.3 |
| 11 (CH2) | 22.3 |
| 12 (C) | 152.2 |
| 13 (C) | 142 |
| 14 (C) | 118.7 |
| 15 (CH) | 106.3 |
| 16 (CH) | 141.3 |
| 17 (CH2) | 104.2 |
| 18 (CH3) | 25.9 |
| 19 (CH3) | 27.6 |
| 20 (CH3) | 17.1 |
| 6a (C) | 165.7 |
| 6b (C) | 130.4 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.6 |
| 6e (CH) | 133.1 |
| 6f (CH) | 128.6 |
| 6g (CH) | 129.7 |
