Spektraris NMR
7-Oxoisosteviol
Common Name: 7-Oxoisosteviol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-17-8-5-12-18(2)6-4-7-19(3,16(23)24)13(18)9-14(21)20(12,11-17)10-15(17)22/h12-13H,4-11H2,1-3H3,(H,23,24)/t12-,13-,17-,18-,19+,20+/m0/s1
InChIKey: InChIKey=XGQGWUFLISWDEU-CZUDOKGXSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Hamasaki, Y., Tokuda, H., Ukiya, M., Kimura, Y., Nishino, H. J Nat Prod (2004) 67, 407-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 39.7 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 38.3 |
| 4 (C) | 43.8 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 40.3 |
| 7 (C) | 212.3 |
| 8 (C) | 51.7 |
| 9 (CH) | 55.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 36.9 |
| 13 (C) | 48.9 |
| 14 (CH2) | 46.6 |
| 15 (CH2) | 46.2 |
| 16 (C) | 217.4 |
| 17 (CH3) | 20.1 |
| 18 (CH3) | 28.6 |
| 19 (C) | 179.5 |
| 20 (CH3) | 13.2 |
