Spektraris NMR
isoiridogermanal
Common Name: isoiridogermanal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-22(2)11-8-12-23(3)15-16-28(33)24(4)13-9-18-29(6)27(14-10-20-31)26(25(5)21-32)17-19-30(29,7)34/h11,13,15,21,27-28,31,33-34H,8-10,12,14,16-20H2,1-7H3/b23-15+,24-13+,26-25-/t27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=KVTCHSWVSFQOTP-YFPNSAJKSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Fang, R., Houghton, P.J., Luo, C., Hylands, P.J. Phytochemistry (2007) 68, 1242-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Iridals; 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) | 26.6 |
| 2 (CH2) | 32.7 |
| 3 (CH2) | 63.1 |
| 4 (C) | 133.2 |
| 5 (C) | 162.8 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 37 |
| 8 (C) | 75 |
| 9 (C) | 44.7 |
| 10 (CH) | 43.4 |
| 11 (CH2) | 36.9 |
| 12 (CH2) | 21.8 |
| 13 (CH) | 125.3 |
| 14 (C) | 137 |
| 15 (CH) | 76.7 |
| 16 (CH2) | 34.2 |
| 17 (CH) | 119.9 |
| 18 (C) | 138.8 |
| 19 (CH2) | 39.8 |
| 20 (CH2) | 26.5 |
| 21 (CH) | 124.1 |
| 22 (C) | 131.7 |
| 23 (CH) | 190 |
| 24 (CH3) | 11 |
| 25 (CH3) | 26.3 |
| 26 (CH3) | 18 |
| 27 (CH3) | 11.9 |
| 28 (CH3) | 16.3 |
| 29 (CH3) | 17.7 |
| 30 (CH3) | 25.7 |
