Spektraris NMR
Prusianoside A
Common Name: Prusianoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O11/c1-30(2)28(42)19(38)14-18-15-35-13-12-32(5)27(34(7)10-9-23(46-34)31(3,4)43)20(16-33(32,6)22(35)8-11-36(18,30)47-35)44-29-26(41)25(40)24(39)21(17-37)45-29/h8,11,14,19-29,37-43H,9-10,12-13,15-17H2,1-7H3/t19-,20+,21-,22+,23-,24-,25+,26-,27+,28+,29-,32-,33+,34+,35+,36+/m1/s1
InChIKey: InChIKey=AAZKOEJMPRXGHI-QVFGUNGSSA-N
Formula: C36H56O11
Molecular Weight: 664.824629
Exact Mass: 664.382263
NMR Solvent: CD3OD
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 (CH) | 112.9 |
| 2 (CH) | 73.8 |
| 3 (CH) | 81.6 |
| 4 (C) | 37.8 |
| 5 (C) | 84.9 |
| 6 (CH) | 135.5 |
| 7 (CH) | 127.1 |
| 8 (CH) | 49.5 |
| 9 (C) | 80 |
| 10 (C) | 147.5 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 31.8 |
| 13 (C) | 46.7 |
| 14 (C) | 47.4 |
| 15 (CH2) | 46.5 |
| 16 (CH) | 84.8 |
| 17 (CH) | 60 |
| 18 (CH3) | 19.3 |
| 19 (CH2) | 46.5 |
| 20 (C) | 88.3 |
| 21 (CH3) | 25.5 |
| 22 (CH2) | 39.8 |
| 23 (CH2) | 26.4 |
| 24 (CH) | 85.3 |
| 25 (C) | 73 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 27.1 |
| 28 (CH3) | 22.1 |
| 29 (CH3) | 22.6 |
| 30 (CH3) | 21.7 |
| 1' (CH) | 106.7 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 62.9 |
