Spektraris NMR
6α-Acetoxyvouacapan-17β,7β-lactone
Common Name: 6α-Acetoxyvouacapan-17β,7β-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-11(23)27-18-17-16-13(21(4)8-5-7-20(2,3)22(18,21)25)10-14-12(6-9-26-14)15(16)19(24)28-17/h6,9,13,15-18,25H,5,7-8,10H2,1-4H3/t13-,15+,16+,17+,18-,21+,22+/m0/s1
InChIKey: InChIKey=ZWMZHDHKAWRFGZ-RUJZNSQESA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Campos, A.M., Silveira, E.R., Brazfilho, R., Teixeira, T.C. Phytochemistry (1994) 36, 403-6
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 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 44 |
| 4 (C) | 33.7 |
| 5 (C) | 57.1 |
| 6 (CH) | 71.6 |
| 7 (CH) | 85.1 |
| 8 (CH) | 41.6 |
| 9 (CH) | 45.6 |
| 10 (C) | 41.1 |
| 11 (CH2) | 21.8 |
| 12 (C) | 152.1 |
| 13 (C) | 113.5 |
| 14 (CH) | 44.1 |
| 15 (CH) | 107.7 |
| 16 (CH) | 141.7 |
| 17 (C) | 173.4 |
| 18 (CH3) | 36.5 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 15.4 |
| 6a (C) | 169.7 |
| 6b (CH3) | 21.6 |
