Spektraris NMR
6alpha-acetoxyvouacapane
Common Name: 6alpha-acetoxyvouacapane
Synonyms: 6alpha-acetoxyvouacapane
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-13-15-7-10-24-18(15)12-17-16(13)11-19(25-14(2)23)20-21(3,4)8-6-9-22(17,20)5/h7,10,13,16-17,19-20H,6,8-9,11-12H2,1-5H3/t13-,16-,17-,19-,20-,22+/m0/s1
InChIKey: InChIKey=RTHBKQKTWBMPLC-WGEIESBPSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mendes, F.N.P., Silveira, E.R. Phytochemistry (1994) 35, 1499-503
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) | 39.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 43.6 |
| 4 (C) | 33.1 |
| 5 (CH) | 57.5 |
| 6 (CH) | 72.6 |
| 7 (CH2) | 37.4 |
| 8 (CH) | 36.6 |
| 9 (CH) | 44.7 |
| 10 (C) | 38.8 |
| 11 (CH2) | 22.6 |
| 12 (C) | 149.2 |
| 13 (C) | 122.2 |
| 14 (CH) | 35 |
| 15 (CH) | 109.4 |
| 16 (CH) | 140.6 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 30.9 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 15.3 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.9 |
