Spektraris NMR
Marrubiagenine
Common Name: Marrubiagenine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h5,11,13,16H,4,6-10,12H2,1-3H3,(H,22,23)/t13-,16-,19+,20-/m1/s1
InChIKey: InChIKey=FEOFLRVZBOQGQA-LONLNUGOSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cifuente D.A., Borkowski E.J., Sosa M.E., Gianello J.C., Giordano O.S., Tonn C.E. Phytochemistry (2002) 61, 899-905
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 16.9 |
| 2 (CH2) | 22.2 |
| 3 (CH) | 142.1 |
| 4 (C) | 137.4 |
| 5 (C) | 40.3 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 24.3 |
| 8 (CH) | 37.9 |
| 9 (C) | 36.3 |
| 10 (CH) | 45.5 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 28.5 |
| 13 (C) | 173.1 |
| 14 (CH) | 115.2 |
| 15 (C) | 170.6 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 16 |
| 18 (C) | 172.9 |
| 19 (CH3) | 33.4 |
| 20 (CH3) | 17.9 |
