Spektraris NMR
Ilexoside XXXIII
Common Name: Ilexoside XXXIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H54O11/c1-31(2)13-15-36(30(44)45)16-14-34(5)18(22(36)27(31)41)7-8-20-32(3)11-10-21(33(4,17-37)19(32)9-12-35(20,34)6)46-29-25(40)23(38)24(39)26(47-29)28(42)43/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/t19-,20-,21+,22-,23+,24+,25-,26+,27+,29-,32+,33+,34-,35-,36+/m1/s1
InChIKey: InChIKey=PRKDDBGEQBESIB-RSVYNJIISA-N
Formula: C36H54O11
Molecular Weight: 662.808747
Exact Mass: 662.366613
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Amimoto K., Yoshikawa K., Arihara S. Phytochemistry (1993) 33, 1475-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 81.3 |
| 4 (C) | 55.6 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 32.7 |
| 8 (C) | 40.3 |
| 9 (CH) | 48.1 |
| 10 (C) | 36.4 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 123.5 |
| 13 (C) | 145 |
| 14 (C) | 42.3 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 29.2 |
| 17 (C) | 46.1 |
| 18 (CH) | 44.9 |
| 19 (CH) | 82.3 |
| 20 (C) | 35.8 |
| 21 (CH2) | 29.3 |
| 22 (CH2) | 33.7 |
| 23 (CH) | 207.1 |
| 24 (CH3) | 10.5 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 25 |
| 28 (C) | 181 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 25 |
| 1' (CH) | 105.4 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.1 |
| 4' (CH) | 73.5 |
| 5' (CH) | 78 |
| 6' (C) | 172.8 |
