Spektraris NMR
Prusianoside B
Common Name: Prusianoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O13/c1-35(2)23-8-9-24-38(6)16-21(51-34-31(48)29(46)28(45)22(17-42)52-34)32(39(7)12-10-26(54-39)36(3,4)49)37(38,5)14-15-41(24)19-40(23,41)13-11-25(35)53-33-30(47)27(44)20(43)18-50-33/h20-34,42-49H,8-19H2,1-7H3/t20-,21+,22+,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33+,34+,37-,38+,39+,40-,41+/m1/s1
InChIKey: InChIKey=NHPPDKWIUAHCHE-WIINWSQCSA-N
Formula: C41H68O13
Molecular Weight: 768.972407
Exact Mass: 768.465992
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Bedir, E., Calis, I., Dunbar, C., Sharan, R., Buolamwini, J.K., Khan, I.A. Tetrahedron (2001) 57, 5961-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.2 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 88.7 |
| 4 (C) | 41.5 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 21 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 47.8 |
| 9 (C) | 20 |
| 10 (C) | 25.9 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 33.1 |
| 13 (C) | 46.9 |
| 14 (C) | 47 |
| 15 (CH2) | 48 |
| 16 (CH) | 83.7 |
| 17 (CH) | 60.1 |
| 18 (CH3) | 21.7 |
| 19 (CH2) | 30.2 |
| 20 (C) | 87.2 |
| 21 (CH3) | 26.3 |
| 22 (CH2) | 39 |
| 23 (CH2) | 26.4 |
| 24 (CH) | 84.5 |
| 25 (C) | 71.4 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 27.7 |
| 28 (CH3) | 26.3 |
| 29 (CH3) | 15.6 |
| 30 (CH3) | 20.7 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.6 |
| 5' (CH2) | 67.2 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 79 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 63.1 |
