Spektraris NMR
Galphimine J
Common Name: Galphimine J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O10/c1-18(33)30-17-41-21(35)9-8-20(30)28(5)13-15-31(25(37)40-7)29(6,23(28)22(36)24(30)42-19(2)34)14-11-26(3)10-12-27(4,38)16-32(26,31)39/h8-9,18,20,22-24,33,36,38-39H,10-17H2,1-7H3/t18?,20-,22-,23-,24-,26+,27+,28-,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=KWKRHPCXAULBLW-BUDPHGSASA-N
Formula: C32H48O10
Molecular Weight: 592.718754
Exact Mass: 592.324748
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - González-Cortazar, M., Tortoriello, J., Alvarez, L. Planta Med (2005) 71, 711-6
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) | 144.08 |
| 2 (CH) | 122.7 |
| 3 (C) | 168.9 |
| 4 (CH) | 63.5 |
| 5 (C) | 51 |
| 6 (CH) | 69.6 |
| 7 (CH) | 63.84 |
| 8 (CH) | 50.82 |
| 9 (C) | 40.6 |
| 10 (CH) | 50.73 |
| 11 (CH2) | 31.41 |
| 12 (CH2) | 22.63 |
| 13 (C) | 53.7 |
| 14 (C) | 36.94 |
| 15 (CH2) | 29.12 |
| 16 (CH2) | 38.39 |
| 17 (C) | 36.99 |
| 18 (C) | 79.6 |
| 19 (CH2) | 37.76 |
| 20 (C) | 74.22 |
| 21 (CH2) | 32.49 |
| 22 (CH2) | 34.3 |
| 23 (CH3) | 17.6 |
| 24 (CH2) | 69.01 |
| 25 (CH3) | 20.03 |
| 26 (CH3) | 19.84 |
| 27 (C) | 175.15 |
| 28 (CH3) | 26.73 |
| 30 (CH3) | 22.83 |
| 6a (C) | 169.47 |
| 6b (CH3) | 20.46 |
| 27a (CH3) | 49.95 |
