Spektraris NMR
Vouacapenic acid
Common Name: Vouacapenic acid
Synonyms: Vouacapenic acid
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12-13-5-6-17-19(2,8-4-9-20(17,3)18(21)22)15(13)11-16-14(12)7-10-23-16/h7,10,12-13,15,17H,4-6,8-9,11H2,1-3H3,(H,21,22)/t12-,13+,15+,17-,19-,20+/m1/s1
InChIKey: InChIKey=CGLTYYYFMFIPDN-FGPOBWDPSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kido, T., Taniguchi, M., Baba, K. Chem Pharm Bull (2003) 51, 207-8
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) | 40.2 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 38.1 |
| 4 (C) | 44.4 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 36.2 |
| 9 (CH) | 45.5 |
| 10 (C) | 38.5 |
| 11 (CH2) | 22.9 |
| 12 (C) | 150.1 |
| 13 (C) | 122.7 |
| 14 (CH) | 32 |
| 15 (CH) | 110 |
| 16 (CH) | 140.8 |
| 17 (CH3) | 18 |
| 18 (CH3) | 29.6 |
| 19 (C) | 185 |
| 20 (CH3) | 13.9 |
