Spektraris NMR
5-Oxo-neoverrucos-(13)-ene
Common Name: 5-Oxo-neoverrucos-(13)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/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/h12,14,17H,6-11H2,1-5H3
InChIKey: InChIKey=JSJSKJKYCVLMHM-UHFFFAOYSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hertewich, U., Zapp, J., Becker, H., Adam, K.P. Phytochemistry (2001) 58, 1049-54
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) | 47.2 |
| 2 (CH) | 28.8 |
| 3 (CH2) | 28.7 |
| 4 (C) | 30.2 |
| 5 (C) | 210.6 |
| 6 (CH2) | 51.8 |
| 7 (C) | 44 |
| 8 (CH2) | 36.9 |
| 9 (CH2) | 35.7 |
| 10 (C) | 49.6 |
| 11 (CH2) | 38 |
| 12 (CH2) | 29.1 |
| 13 (C) | 136.4 |
| 14 (C) | 139.1 |
| 15 (CH) | 27.3 |
| 16 (CH3) | 21.7 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 24.3 |
