Spektraris NMR
Cyclosiversigenin 6-O-Beta-D-glucopyranoside
Common Name: Cyclosiversigenin 6-O-Beta-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O10/c1-30(2)22(39)8-11-36-17-35(36)13-12-32(5)27(34(7)10-9-23(46-34)31(3,4)43)18(38)15-33(32,6)21(35)14-19(28(30)36)44-29-26(42)25(41)24(40)20(16-37)45-29/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,27+,28-,29+,32+,33-,34+,35-,36+/m0/s1
InChIKey: InChIKey=MHQQPTNPTWQCBN-NDEDHFRXSA-N
Formula: C36H60O10
Molecular Weight: 652.856987
Exact Mass: 652.418648
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sukhina, I.A., Agzamova, M.A., Imomnazarov, B.A., Isaev, M.I. Chem Nat Compd (2000) 36, 373-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.6 |
| 2 (CH2) | 31.31 |
| 3 (CH) | 78.1 |
| 4 (C) | 42.43 |
| 5 (CH) | 52.61 |
| 6 (CH) | 79.85 |
| 7 (CH2) | 34.98 |
| 8 (CH) | 46.3 |
| 9 (C) | 21.12 |
| 10 (C) | 29.64 |
| 11 (CH2) | 26.48 |
| 12 (CH2) | 33.46 |
| 13 (C) | 45.11 |
| 14 (C) | 46.3 |
| 15 (CH2) | 46.47 |
| 16 (CH) | 73.42 |
| 17 (CH) | 58.33 |
| 18 (CH3) | 21.34 |
| 19 (CH2) | 29.64 |
| 20 (C) | 87.27 |
| 21 (CH3) | 28.59 |
| 22 (CH2) | 34.98 |
| 23 (CH2) | 26.29 |
| 24 (CH) | 81.75 |
| 25 (C) | 71.27 |
| 26 (CH3) | 27.11 |
| 27 (CH3) | 28.21 |
| 28 (CH3) | 19.98 |
| 29 (CH3) | 29.14 |
| 30 (CH3) | 16.15 |
| 1' (CH) | 105.22 |
| 2' (CH) | 75.6 |
| 3' (CH) | 79.23 |
| 4' (CH) | 71.92 |
| 5' (CH) | 78.31 |
| 6' (CH2) | 63.15 |
