Spektraris NMR
Ilexhainanin C
Common Name: Ilexhainanin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O7/c1-17-8-13-29(23(33)34)15-14-26(3)18(22(29)28(17,5)37)6-7-19-25(2)11-10-21(32)30(16-31,24(35)36)20(25)9-12-27(19,26)4/h6,17,19-22,31-32,37H,7-16H2,1-5H3,(H,33,34)(H,35,36)/t17-,19-,20-,21+,22-,25-,26-,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=UJQPTRSGJSZUQW-MZXQEWSFSA-N
Formula: C30H46O7
Molecular Weight: 518.683186
Exact Mass: 518.324354
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, S.-X., Yang, J.-S., Liua, F.-C., Tu, P.-F. Helv Chim Acta (2007) 90, 121-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 39.6 |
| 2 (CH2) | 29.3 |
| 3 (CH) | 73.2 |
| 4 (C) | 55.1 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.2 |
| 9 (CH) | 47.3 |
| 10 (C) | 37.6 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 128 |
| 13 (C) | 139.9 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 26.4 |
| 17 (C) | 48.2 |
| 18 (CH) | 54.6 |
| 19 (C) | 72.6 |
| 20 (CH) | 42.3 |
| 21 (CH2) | 27 |
| 22 (CH2) | 38.4 |
| 23 (CH2) | 64.4 |
| 24 (C) | 179.2 |
| 25 (CH3) | 14.3 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 24.5 |
| 28 (C) | 180.6 |
| 29 (CH3) | 26.9 |
| 30 (CH3) | 16.7 |
