Spektraris NMR
Pisumoside A
Common Name: Pisumoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3/t14-,15+,16+,17+,18-,19+,20+,21+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32-,33-,35-,36+,37-,38?/m0/s1
InChIKey: InChIKey=KOGDNIPXKVTMKI-POSOQDMSSA-N
Formula: C38H62O21
Molecular Weight: 854.887794
Exact Mass: 854.378359
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Murakami, T., Kohno, K., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2001) 49, 73-7
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) | 40.8 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 40.4 |
| 4 (C) | 44.9 |
| 5 (CH) | 52.3 |
| 6 (CH) | 71.2 |
| 7 (CH) | 82.5 |
| 8 (C) | 49.1 |
| 9 (CH) | 49.8 |
| 10 (C) | 41.1 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 27.3 |
| 13 (C) | 80.4 |
| 14 (CH2) | 50.3 |
| 15 (CH2) | 36.6 |
| 16 (CH) | 46.1 |
| 17 (CH2) | 75.5 |
| 18 (CH3) | 32.3 |
| 19 (C) | 177.4 |
| 20 (CH3) | 17.3 |
| 1' (CH) | 94.2 |
| 2' (CH) | 79.8 |
| 3' (CH) | 79 |
| 4' (CH) | 70.9 |
| 5' (CH) | 79.2 |
| 6' (CH2) | 62.2 |
| 1'' (CH) | 105.1 |
| 2'' (CH) | 75.8 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 72.2 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 62.9 |
| 1''' (CH) | 106.5 |
| 2''' (CH) | 75.5 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 71.8 |
| 5''' (CH) | 78.4 |
| 6''' (CH2) | 62.9 |
