Spektraris NMR
ilexosides XXXII
Common Name: ilexosides XXXII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O11/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/h7,19-27,29,37-41H,8-17H2,1-6H3,(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=JSTDGMUSVYYABL-RSVYNJIISA-N
Formula: C36H56O11
Molecular Weight: 664.824629
Exact Mass: 664.382263
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) | 38.5 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 82.1 |
| 4 (C) | 43.6 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33 |
| 8 (C) | 40.1 |
| 9 (CH) | 41.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123.4 |
| 13 (C) | 144.9 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 29.2 |
| 17 (C) | 46.1 |
| 18 (CH) | 44.8 |
| 19 (CH) | 81.2 |
| 20 (C) | 35.8 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 33.7 |
| 23 (CH2) | 64.5 |
| 24 (CH3) | 13.6 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 24.9 |
| 28 (C) | 180.9 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 24.9 |
| 1' (CH) | 106.3 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.1 |
| 4' (CH) | 73.5 |
| 5' (CH) | 78 |
| 6' (C) | 172.8 |
