Spektraris NMR
5-Oxo-epi-neoverrucosane
Common Name: 5-Oxo-epi-neoverrucosane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-12(2)13-6-7-18(3)8-9-19(4)11-15(21)20(5)10-14(20)17(19)16(13)18/h12-14,16-17H,6-11H2,1-5H3/t13-,14+,16-,17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=DLVRUCLKVPYBAF-RRTWWDOWSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
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) | 45.1 |
| 2 (CH) | 30.2 |
| 3 (C) | 29.4 |
| 4 (CH2) | 29.9 |
| 5 (C) | 211.3 |
| 6 (CH2) | 53.6 |
| 7 (C) | 41.8 |
| 8 (CH2) | 35.3 |
| 9 (CH2) | 36.7 |
| 10 (C) | 42.2 |
| 11 (CH2) | 40.8 |
| 12 (CH2) | 25.6 |
| 13 (CH) | 30.8 |
| 14 (CH) | 50.7 |
| 15 (CH) | 46.6 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 20.3 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 20.6 |
