Spektraris NMR
Zlexoside XXXV
Common Name: Zlexoside XXXV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H57O12S.Na/c1-19-9-14-36(30(42)47-29-27(41)26(40)25(39)21(17-37)46-29)16-15-33(4)20(28(36)35(19,6)43)7-8-23-31(2)12-11-24(48-49(44)45)32(3,18-38)22(31)10-13-34(23,33)5;/h7,19,21-29,37-41,43H,8-18H2,1-6H3;/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32-,33-,34-,35-,36+;/m1./s1
InChIKey: InChIKey=ZUFNYHSOWYMXHX-JNJCLNSLSA-N
Formula: C36H59N1O12S1
Molecular Weight: 729.920684
Exact Mass: 729.375797
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) | 24.7 |
| 3 (CH) | 88.9 |
| 4 (C) | 44.3 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.8 |
| 8 (C) | 40.4 |
| 9 (CH) | 47.6 |
| 10 (C) | 36.9 |
| 11 (CH2) | 29.2 |
| 12 (CH) | 128.3 |
| 13 (C) | 139.2 |
| 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) | 42.2 |
| 21 (CH2) | 26.7 |
| 22 (CH2) | 31.1 |
| 23 (CH3) | 23.2 |
| 24 (CH2) | 63 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 11.2 |
| 27 (CH3) | 24.5 |
| 28 (C) | 177 |
| 29 (CH3) | 27 |
| 30 (CH3) | 16.1 |
| 1' (CH) | 95.8 |
| 2' (CH) | 74 |
| 3' (CH) | 79.2 |
| 4' (CH) | 71.2 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 62.3 |
