Spektraris NMR
Ilexhainanin A
Common Name: Ilexhainanin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-17-18(16-31)8-13-30(25(35)36)15-14-27(3)19(23(17)30)6-7-20-26(2)11-10-22(32)29(5,24(33)34)21(26)9-12-28(20,27)4/h6,17-18,20-23,31-32H,7-16H2,1-5H3,(H,33,34)(H,35,36)/t17-,18-,20+,21+,22-,23-,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=GKMOQYYEKGKELF-QLSCKIPVSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
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) | 39.7 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 78.2 |
| 4 (C) | 49.2 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 33.9 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.3 |
| 10 (C) | 37.8 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 125.8 |
| 13 (C) | 139.1 |
| 14 (C) | 42.6 |
| 15 (CH2) | 29 |
| 16 (CH2) | 25 |
| 17 (C) | 48.3 |
| 18 (CH) | 53.6 |
| 19 (CH) | 33.9 |
| 20 (CH) | 47.4 |
| 21 (CH2) | 25.7 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 24.7 |
| 24 (C) | 180.9 |
| 25 (CH3) | 14 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 23.8 |
| 28 (C) | 179.9 |
| 29 (CH3) | 17.2 |
| 30 (CH2) | 65.1 |
