Spektraris NMR
Ilexhainanoside B
Common Name: Ilexhainanoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H54O11/c1-18-19(16-37)8-13-36(31(45)47-29-28(42)27(41)26(40)21(17-38)46-29)15-14-33(3)20(25(18)36)6-7-22-32(2)11-10-24(39)35(5,30(43)44)23(32)9-12-34(22,33)4/h6,21-29,37-42H,7-17H2,1-5H3,(H,43,44)/t21-,22-,23-,24+,25+,26-,27+,28-,29+,32-,33-,34-,35-,36+/m1/s1
InChIKey: InChIKey=OFNDLNOOTBMEDA-UAXOFFTESA-N
Formula: C36H54O11
Molecular Weight: 662.808747
Exact Mass: 662.366613
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) | 39.9 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 78.3 |
| 4 (C) | 49.2 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 34.5 |
| 8 (C) | 39.7 |
| 9 (CH) | 47.5 |
| 10 (C) | 37.7 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 128 |
| 13 (C) | 137.6 |
| 14 (C) | 43.8 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 23.6 |
| 17 (C) | 47.2 |
| 18 (CH) | 50.8 |
| 19 (C) | 131.1 |
| 20 (C) | 129.7 |
| 21 (CH2) | 24.4 |
| 22 (CH2) | 33 |
| 23 (CH3) | 24.7 |
| 24 (C) | 180.9 |
| 25 (CH3) | 14.4 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 22.2 |
| 28 (C) | 176.2 |
| 29 (CH3) | 16.8 |
| 30 (CH2) | 63 |
| 1' (CH) | 95.8 |
| 2' (CH) | 74.1 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.1 |
| 5' (CH) | 79.3 |
| 6' (CH2) | 62.1 |
