Spektraris NMR
13-Hydroxy-5-oxo-epi-neoverrucosane
Common Name: 13-Hydroxy-5-oxo-epi-neoverrucosane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-12(2)20(22)9-8-17(3)6-7-18(4)11-14(21)19(5)10-13(19)15(18)16(17)20/h12-13,15-16,22H,6-11H2,1-5H3/t13-,15+,16+,17-,18-,19-,20-/m0/s1
InChIKey: InChIKey=RAVOUKJQZMYTKL-DXFHCHAVSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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) | 46.4 |
| 2 (CH) | 28.8 |
| 3 (C) | 29 |
| 4 (CH2) | 28.9 |
| 5 (C) | 211.4 |
| 6 (CH2) | 53.8 |
| 7 (C) | 41.9 |
| 8 (CH2) | 34.9 |
| 9 (CH2) | 37.2 |
| 10 (C) | 43.2 |
| 11 (CH2) | 38 |
| 12 (CH2) | 34.8 |
| 13 (C) | 85.5 |
| 14 (CH) | 60.2 |
| 15 (CH) | 35.3 |
| 16 (CH3) | 18.5 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 20.5 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 19.3 |
