Spektraris NMR
Ziyu-glycoside I
Common Name: Ziyu-glycoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H66O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,20,22-34,42-49,51H,8-19H2,1-6H3/t20-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,36+,37+,38-,39-,40-,41+/m1/s1
InChIKey: InChIKey=OQQOYQUBUVPAAU-MGWPCKFBSA-N
Formula: C41H66O14
Molecular Weight: 782.955931
Exact Mass: 782.445257
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Taketa, A.T.C., Breitmaier, E., Schenkel, E.P. J Braz Chem Soc (2004) 15, 205-11
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) | 39 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 88.9 |
| 4 (C) | 39.7 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.7 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 128.6 |
| 13 (C) | 139.4 |
| 14 (C) | 42.2 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 26.3 |
| 17 (C) | 48.8 |
| 18 (CH) | 54.6 |
| 19 (C) | 72.8 |
| 20 (CH) | 42.3 |
| 21 (CH2) | 26.9 |
| 22 (CH2) | 37.9 |
| 23 (CH2) | 28.4 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 24.7 |
| 28 (C) | 177.1 |
| 29 (CH3) | 27.2 |
| 30 (CH3) | 16.9 |
| 1' (CH) | 107.8 |
| 2' (CH) | 73.1 |
| 3' (CH) | 74.8 |
| 4' (CH) | 69.8 |
| 5' (CH2) | 67 |
| 1'' (CH) | 96 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 79.1 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 79.5 |
| 6'' (CH2) | 62.4 |
