Spektraris NMR
Zlexoside XXXIX
Common Name: Zlexoside XXXIX
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-29(49)26(46)25(45)21(17-43)55-34)16-15-39(4)20(32(42)41(19,6)54)7-8-23-37(2)12-11-24(38(3,18-44)22(37)10-13-40(23,39)5)56-35-30(50)27(47)28(48)31(57-35)33(51)52/h7,19,21-32,34-35,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,34+,35-,37+,38+,39-,40-,41-,42+/m1/s1
InChIKey: InChIKey=DROUAZJCVDKKRH-BNFNWNNASA-N
Formula: C42H66O16
Molecular Weight: 826.965476
Exact Mass: 826.435086
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 : 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) | 38.8 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 82.1 |
| 4 (C) | 43.5 |
| 5 (CH) | 47.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.6 |
| 9 (CH) | 47.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 128.4 |
| 13 (C) | 139.3 |
| 14 (C) | 42.1 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 26.2 |
| 17 (C) | 48.7 |
| 18 (CH) | 54.5 |
| 19 (C) | 72.8 |
| 20 (CH) | 42.2 |
| 21 (CH2) | 26.8 |
| 22 (CH2) | 37.8 |
| 23 (CH2) | 23.1 |
| 24 (CH3) | 64.7 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 24.6 |
| 28 (C) | 177 |
| 29 (CH3) | 27.2 |
| 30 (CH3) | 16.8 |
| 1' (CH) | 106.2 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78 |
| 4' (CH) | 73.4 |
| 5' (CH) | 77.7 |
| 6' (C) | 173 |
| 1'' (CH) | 95.9 |
| 2'' (CH) | 74 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 79.3 |
| 6'' (CH2) | 62.3 |
