Spektraris NMR
Cussoracoside F
Common Name: Cussoracoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O12/c1-15-10-30-9-6-18-28(2,19(30)5-4-16(15)11-30)8-7-20(33)29(18,3)27(38)43-25-23(36)22(35)21(34)17(42-25)12-40-26-24(37)31(39,13-32)14-41-26/h16-26,32-37,39H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20+,21-,22+,23-,24+,25+,26-,28-,29-,30-,31-/m1/s1
InChIKey: InChIKey=YGCUCGLQSJKAIF-JHCBPQDYSA-N
Formula: C31H48O12
Molecular Weight: 612.706828
Exact Mass: 612.314577
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Kasai, R., Yamasaki, K. Chem Pharm Bull (2002) 50, 268-71
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.7 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 72 |
| 4 (C) | 43 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 40.7 |
| 8 (C) | 44.1 |
| 9 (CH) | 55.6 |
| 10 (C) | 39 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.3 |
| 13 (CH) | 44.2 |
| 14 (CH2) | 39.8 |
| 15 (CH2) | 49.1 |
| 16 (C) | 155.9 |
| 17 (CH2) | 103.4 |
| 18 (C) | 74.4 |
| 19 (CH3) | 12.8 |
| 20 (CH3) | 18.3 |
| 1' (CH) | 105.3 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78.5 |
| 4' (CH) | 72 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 69.1 |
| 1'' (CH) | 111.1 |
| 2'' (CH) | 77.6 |
| 3'' (C) | 80.4 |
| 4'' (CH2) | 75 |
| 5'' (CH2) | 65.5 |
