Spektraris NMR
Galphin B
Common Name: Galphin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O12/c1-18-14-24(47-22(5)39)32(7)11-12-33(8)27-23(46-21(4)38)16-34(17-44-20(3)37)19(2)45-29(40)26-25(48-26)28(34)31(27,6)10-13-35(33,30(41)43-9)36(32,42)15-18/h19,23-28,42H,1,10-17H2,2-9H3/t19-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34+,35+,36+/m1/s1
InChIKey: InChIKey=OPFVYGDWJRPXPA-GKMUILBXSA-N
Formula: C36H50O12
Molecular Weight: 674.776389
Exact Mass: 674.330227
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - del Rayo Camacho, M., Phillipson, J.D., Croft, S.L., Marley, D., Kirby, G.C., Warhurst, D.C. J Nat Prod (2002) 65, 1457-61
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 52.7 |
| 2 (CH) | 56.4 |
| 3 (C) | 168.5 |
| 4 (CH) | 76.4 |
| 5 (C) | 41.5 |
| 6 (CH2) | 31.8 |
| 7 (CH) | 68.7 |
| 8 (CH) | 51.3 |
| 9 (C) | 37.8 |
| 10 (CH) | 54.2 |
| 11 (CH2) | 26.9 |
| 12 (CH2) | 26.8 |
| 13 (C) | 57.9 |
| 14 (C) | 41.9 |
| 15 (CH2) | 40.4 |
| 16 (CH2) | 23.9 |
| 17 (C) | 43.1 |
| 18 (C) | 76.7 |
| 19 (CH2) | 41.9 |
| 20 (C) | 138.6 |
| 21 (CH2) | 34.9 |
| 22 (CH) | 70.9 |
| 23 (CH3) | 13 |
| 24 (CH2) | 68.2 |
| 25 (CH3) | 20.9 |
| 26 (CH3) | 23.1 |
| 27 (C) | 173.7 |
| 28 (CH3) | 18.3 |
| 29 (CH2) | 113.2 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21 |
| 22a (C) | 170.2 |
| 22b (CH3) | 21.2 |
| 24a (C) | 170.9 |
| 24b (CH3) | 21.6 |
| 27a (CH3) | 51.3 |
