Spektraris NMR
Cussoracoside B
Common Name: Cussoracoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O12/c1-15-10-30-8-5-19-28(2,20(30)9-17(33)16(15)11-30)6-4-7-29(19,3)27(38)43-25-23(36)22(35)21(34)18(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=PKBUZKXTOSRKKX-MUNMXRCNSA-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) | 40.6 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 38.2 |
| 4 (C) | 44 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 40.8 |
| 8 (C) | 44.1 |
| 9 (CH) | 57.1 |
| 10 (C) | 39.5 |
| 11 (CH2) | 29.4 |
| 12 (CH) | 71.2 |
| 13 (CH) | 51.9 |
| 14 (CH2) | 39.8 |
| 15 (CH2) | 49.4 |
| 16 (C) | 151 |
| 17 (CH2) | 106.3 |
| 18 (CH3) | 28.6 |
| 19 (C) | 176.7 |
| 20 (CH3) | 16.3 |
| 1' (CH) | 95.5 |
| 2' (CH) | 73.9 |
| 3' (CH) | 79 |
| 4' (CH) | 71.1 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 67.8 |
| 1'' (CH) | 110.8 |
| 2'' (CH) | 77.9 |
| 3'' (C) | 80.4 |
| 4'' (CH2) | 75.1 |
| 5'' (CH2) | 65.8 |
