Spektraris NMR
Cussoside B
Common Name: Cussoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O13/c1-17-7-11-32(16-43-30-28(41)26(39)24(37)21(15-35)45-30)18(2)5-4-6-22(32)31(17,3)10-8-19(13-33)9-12-42-29-27(40)25(38)23(36)20(14-34)44-29/h5,9,17,20-30,33-41H,4,6-8,10-16H2,1-3H3/b19-9-/t17-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29-,30-,31+,32-/m1/s1
InChIKey: InChIKey=MKMAHELGRJTPPQ-WHZOGNRJSA-N
Formula: C32H54O13
Molecular Weight: 646.764613
Exact Mass: 646.356442
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina Liva, R.R., Kasai, R., Yamasaki, K. Phytochemistry (2002) 60, 339-43
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) | 18 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 122.4 |
| 4 (C) | 142.9 |
| 5 (C) | 42.2 |
| 6 (CH2) | 32.6 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 36.6 |
| 9 (C) | 38.9 |
| 10 (CH) | 46.8 |
| 11 (CH2) | 37.5 |
| 12 (CH2) | 28.3 |
| 13 (C) | 145.6 |
| 14 (CH) | 122.5 |
| 15 (CH2) | 65.3 |
| 16 (CH2) | 60 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 21.2 |
| 19 (CH2) | 74.4 |
| 20 (CH3) | 18.9 |
| 1' (CH) | 106 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 103.5 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 62.8 |
