Spektraris NMR
Ilexhainanoside A
Common Name: Ilexhainanoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H54O10/c1-18-9-14-36(31(44)46-29-28(41)27(40)26(39)21(17-37)45-29)16-15-33(4)20(25(36)19(18)2)7-8-22-32(3)12-11-24(38)35(6,30(42)43)23(32)10-13-34(22,33)5/h7,18,21-24,26-29,37-41H,8-17H2,1-6H3,(H,42,43)/t18-,21-,22-,23-,24+,26-,27+,28-,29+,32-,33-,34-,35-,36+/m1/s1
InChIKey: InChIKey=LFRQUKSEORCVKD-AVLAXGBESA-N
Formula: C36H54O10
Molecular Weight: 646.809342
Exact Mass: 646.371698
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, S., Yang, J., Liu, F., Tu, P. Magn Reson Chem (2007) 45, 179-81
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) | 40.1 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 78.2 |
| 4 (C) | 49.1 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 35.2 |
| 8 (C) | 39.3 |
| 9 (CH) | 47.5 |
| 10 (C) | 37.6 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 126.6 |
| 13 (C) | 138.7 |
| 14 (C) | 44.8 |
| 15 (CH2) | 28.9 |
| 16 (CH2) | 35.3 |
| 17 (C) | 49.8 |
| 18 (C) | 133.7 |
| 19 (C) | 135.9 |
| 20 (CH) | 34.5 |
| 21 (CH2) | 26.7 |
| 22 (CH2) | 30.9 |
| 23 (CH3) | 24.6 |
| 24 (C) | 180.6 |
| 25 (CH3) | 14.5 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 22 |
| 28 (C) | 174.6 |
| 29 (CH3) | 19.5 |
| 30 (CH3) | 18.6 |
| 1' (CH) | 95.8 |
| 2' (CH) | 74 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.1 |
| 5' (CH) | 79 |
| 6' (CH2) | 62.2 |
