Spektraris NMR
Cussovantoside C
Common Name: Cussovantoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O13/c1-27-7-6-20(34)28(2,18(27)5-8-29-9-16(3-4-19(27)29)30(39,11-29)12-32)14-42-25-23(37)22(36)21(35)17(44-25)10-41-26-24(38)31(40,13-33)15-43-26/h16-26,32-40H,3-15H2,1-2H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-/m1/s1
InChIKey: InChIKey=HTLKWYLJSKSYJN-PFOKVEGYSA-N
Formula: C31H52O13
Molecular Weight: 632.737996
Exact Mass: 632.340792
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina L., Kasai R., Yamasaki K. Phytochemistry (2002) 61, 367-72
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) | 40.7 |
| 2 (CH2) | 18.6 |
| 3 (CH) | 36.6 |
| 4 (C) | 38.2 |
| 5 (CH) | 57.7 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 42.7 |
| 8 (C) | 43.8 |
| 9 (CH) | 57 |
| 10 (C) | 39.5 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 41.7 |
| 14 (CH2) | 38.4 |
| 15 (CH2) | 53.3 |
| 16 (C) | 79.6 |
| 17 (CH2) | 70.4 |
| 18 (CH3) | 28.2 |
| 19 (CH2) | 72.8 |
| 20 (CH3) | 18.3 |
| 1' (CH) | 104.9 |
| 2' (CH) | 75 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.8 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 68.7 |
| 1'' (CH) | 110.9 |
| 2'' (CH) | 77.7 |
| 3'' (C) | 80.4 |
| 4'' (CH2) | 75.1 |
| 5'' (CH2) | 65.7 |
