Spektraris NMR
Pisumoside B
Common Name: Pisumoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3/t13-,14+,15+,16-,17+,18+,19-,20-,21+,22-,23+,24-,25-,26-,27-,29-,30+,31-,32?/m0/s1
InChIKey: InChIKey=YOTRDVISFUJMJN-CEEAFKPPSA-N
Formula: C32H52O16
Molecular Weight: 692.746947
Exact Mass: 692.325536
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) | 40.3 |
| 4 (C) | 44.9 |
| 5 (CH) | 52.3 |
| 6 (CH) | 71.3 |
| 7 (CH) | 82.6 |
| 8 (C) | 49.1 |
| 9 (CH) | 49.9 |
| 10 (C) | 41.1 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 27.2 |
| 13 (C) | 81.2 |
| 14 (CH2) | 50.9 |
| 15 (CH2) | 36.8 |
| 16 (CH) | 45.6 |
| 17 (CH2) | 66.4 |
| 18 (CH3) | 32.3 |
| 19 (C) | 177.4 |
| 20 (CH3) | 17.3 |
| 1' (CH) | 94.2 |
| 2' (CH) | 79.6 |
| 3' (CH) | 78.9 |
| 4' (CH) | 70.9 |
| 5' (CH) | 79.1 |
| 6' (CH2) | 62.2 |
| 1'' (CH) | 105 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 72.2 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.9 |
