Spektraris NMR
Pulsatilloside B
Common Name: Pulsatilloside B
Synonyms: Pulsatilloside B
CAS Registry Number:
InChI: InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(55-36)18-53-35-33(50)31(48)29(46)23(17-43)54-35)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(45)39(4,19-44)25(38)10-13-41(26,40)6/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,38-,39-,40+,41+,42-/m0/s1
InChIKey: InChIKey=PVVJZDLOKFUBNE-UGUOGOKGSA-N
Formula: C42H68O14
Molecular Weight: 796.982548
Exact Mass: 796.460907
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ye, W.C., Ji, N.N., Zhao, S.X., Liu, J.H., Ye, T., McKervey, M.A., Stevenson, P. Phytochemistry (1996) 42, 799-802
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.1 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 73.2 |
| 4 (C) | 43 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 34.3 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.9 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 26 |
| 13 (CH) | 38.3 |
| 14 (C) | 42.7 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 32.2 |
| 17 (C) | 56.9 |
| 18 (CH) | 47.4 |
| 19 (CH) | 49.7 |
| 20 (C) | 150.9 |
| 21 (CH2) | 30.1 |
| 22 (CH2) | 37.3 |
| 23 (CH2) | 67.6 |
| 24 (CH3) | 12.9 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 14.8 |
| 28 (C) | 175 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.4 |
| 1' (CH) | 95.2 |
| 2' (CH) | 74 |
| 3' (CH) | 78.4 |
| 4' (CH) | 70.9 |
| 5' (CH) | 78 |
| 6' (CH2) | 69.4 |
| 1'' (CH) | 105.3 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.6 |
