Spektraris NMR
Baiyunoside
Common Name: Baiyunoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O11/c1-16-5-8-21-30(2,3)22(9-11-31(21,4)18(16)7-6-17-10-12-38-14-17)41-29-27(25(36)24(35)20(13-32)40-29)42-28-26(37)23(34)19(33)15-39-28/h10,12,14,19-29,32-37H,5-9,11,13,15H2,1-4H3/t19-,20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,31-/m1/s1
InChIKey: InChIKey=JOKKBOSZTVHKSH-IPLNTMFRSA-N
Formula: C31H48O11
Molecular Weight: 596.707423
Exact Mass: 596.319662
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katagiri, M., Ohtani, K., Kasai, R., Yamasaki, K., Yang, C.R., Tanaka, O. Phytochemistry (1994) 35, 439-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 35.3 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 89.3 |
| 4 (C) | 38.8 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 19 |
| 7 (CH2) | 14 |
| 8 (C) | 126.6 |
| 9 (C) | 140 |
| 10 (C) | 39.7 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 26.1 |
| 13 (C) | 126.1 |
| 14 (CH) | 111.5 |
| 15 (CH) | 143.3 |
| 16 (CH) | 139.1 |
| 17 (CH3) | 19.5 |
| 18 (CH3) | 28 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 20.3 |
| 1' (CH) | 105 |
| 2' (CH) | 83.8 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.5 |
| 1'' (CH) | 106.9 |
| 2'' (CH) | 76.5 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.1 |
| 5'' (CH2) | 67.2 |
