Spektraris NMR
8a-Acetoxy-5-oxo-epi-neoverrucosane-13-en
Common Name: 8a-Acetoxy-5-oxo-epi-neoverrucosane-13-en
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-12(2)14-7-8-20(4)11-17(25-13(3)23)22(6)10-16(24)21(5)9-15(21)19(22)18(14)20/h12,15,17,19H,7-11H2,1-6H3/t15-,17-,19+,20+,21-,22+/m0/s1
InChIKey: InChIKey=LGTIXVKAPQBDEW-PLJJNFILSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grammes, C., Burkhardt, G., Veith, M., Huch, V., Becker, H. Phytochemistry (1997) 44, 1495-502
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Neoverrucosanes; 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 (CH) | 44.8 |
| 2 (CH) | 27.7 |
| 3 (C) | 28.4 |
| 4 (CH2) | 29.4 |
| 5 (C) | 209.2 |
| 6 (CH2) | 49.4 |
| 7 (C) | 47.1 |
| 8 (CH) | 75.8 |
| 9 (CH2) | 47 |
| 10 (C) | 40.7 |
| 11 (CH2) | 38.2 |
| 12 (CH2) | 30.1 |
| 13 (C) | 141 |
| 14 (C) | 134.6 |
| 15 (CH) | 27.3 |
| 16 (CH3) | 21.7 |
| 17 (CH3) | 21.7 |
| 18 (CH3) | 19.6 |
| 19 (CH3) | 12.9 |
| 20 (CH3) | 25.1 |
| 8a (C) | 170.4 |
| 8b (CH3) | 21.1 |
