Spektraris NMR
Zlexoside XXXVI
Common Name: Zlexoside XXXVI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O15/c1-20-9-14-42(36(52)57-35-32(51)30(49)28(47)23(18-44)55-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(38(3,19-45)24(37)10-13-40(25,39)5)56-34-31(50)29(48)27(46)22(17-43)54-34/h7,20,22-35,43-51,53H,8-19H2,1-6H3/t20-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,35+,37+,38-,39-,40-,41-,42+/m1/s1
InChIKey: InChIKey=BTGWDXCTCFDPBM-IEIVXIGPSA-N
Formula: C42H68O15
Molecular Weight: 812.981953
Exact Mass: 812.455822
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) | 38.6 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 88.9 |
| 4 (C) | 44.3 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.7 |
| 8 (C) | 40.5 |
| 9 (CH) | 41.5 |
| 10 (C) | 6.6 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 128.4 |
| 13 (C) | 139.3 |
| 14 (C) | 42.1 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 26.1 |
| 17 (C) | 48.6 |
| 18 (CH) | 54.4 |
| 19 (C) | 72.6 |
| 20 (CH) | 42.1 |
| 21 (CH2) | 26.1 |
| 22 (CH2) | 37.7 |
| 23 (CH3) | 23.4 |
| 24 (CH2) | 63.3 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 24.5 |
| 28 (C) | 17 |
| 29 (CH3) | 27 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 106.2 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 63 |
| 1'' (CH) | 95.8 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 78.9 |
| 6'' (CH2) | 62.3 |
