Spektraris NMR
Galphin C
Common Name: Galphin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H52O14/c1-18-13-25(50-22(5)41)34(8)11-12-35(9)29-24(49-21(4)40)15-36(17-47-20(3)39)19(2)48-31(43)28-27(52-28)30(36)33(29,7)16-26(51-23(6)42)38(35,32(44)46-10)37(34,45)14-18/h19,24-30,45H,1,11-17H2,2-10H3/t19-,24-,25-,26+,27-,28+,29+,30+,33-,34+,35-,36+,37+,38+/m1/s1
InChIKey: InChIKey=VYXXVIXVFCBYMZ-VUXZEDCXSA-N
Formula: C38H52O14
Molecular Weight: 732.812552
Exact Mass: 732.335706
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) | 53.9 |
| 2 (CH) | 57.6 |
| 3 (C) | 169.7 |
| 4 (CH) | 77.7 |
| 5 (C) | 42.5 |
| 6 (CH2) | 32.9 |
| 7 (CH) | 70 |
| 8 (CH) | 52.4 |
| 9 (C) | 38.9 |
| 10 (CH) | 55.8 |
| 11 (CH2) | 35.2 |
| 12 (CH) | 76.3 |
| 13 (C) | 59.5 |
| 14 (C) | 49.2 |
| 15 (CH2) | 41.4 |
| 16 (CH2) | 25.6 |
| 17 (C) | 43.9 |
| 18 (C) | 80.7 |
| 19 (CH2) | 42.8 |
| 20 (C) | 139 |
| 21 (CH2) | 37 |
| 22 (CH) | 70 |
| 23 (CH3) | 14.3 |
| 24 (CH2) | 69.4 |
| 25 (CH3) | 23.1 |
| 26 (CH3) | 25.1 |
| 27 (C) | 174.3 |
| 28 (CH3) | 16 |
| 29 (CH2) | 114.6 |
| 7a (C) | 170.7 |
| 7b (CH3) | 22.3 |
| 12a (C) | 171.4 |
| 12b (CH3) | 22.6 |
| 22a (C) | 171.5 |
| 22b (CH3) | 22.6 |
| 24a (C) | 171.8 |
| 24b (CH3) | 23 |
| 27a (CH3) | 52.7 |
