Spektraris NMR
Ziyuglycoside I
Common Name: Ziyuglycoside I
Synonyms: Ziyuglycoside I
CAS Registry Number:
InChI: InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
InChIKey: InChIKey=WCHBFWOEFOZHMK-MLHVESHNSA-N
Formula: C41H66O13
Molecular Weight: 766.956526
Exact Mass: 766.450342
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251
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) | 38.9 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 88.7 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.5 |
| 9 (CH) | 47.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 24 |
| 12 (CH) | 128.4 |
| 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) | 42.1 |
| 21 (CH2) | 26.1 |
| 22 (CH2) | 37.7 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 17.4 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 24.6 |
| 28 (C) | 176.9 |
| 29 (CH3) | 27 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 107.5 |
| 2' (CH) | 72.9 |
| 3' (CH) | 74.6 |
| 4' (CH) | 69.5 |
| 5' (CH2) | 66.7 |
| 1'' (CH) | 95.8 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 78.9 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 79.2 |
| 6'' (CH2) | 62.3 |
