Spektraris NMR
3-O-b -Dglucopyranosyl-(1→4)-b -D-fucopyranosyl (22S,24Z)-cycloart-24-en-3b ,22,26-triol 26-O-b -D-glucopyranoside.
Common Name: 3-O-b -Dglucopyranosyl-(1→4)-b -D-fucopyranosyl (22S,24Z)-cycloart-24-en-3b ,22,26-triol 26-O-b -D-glucopyranoside.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H80O17/c1-22(20-60-41-37(57)34(54)32(52)27(18-49)62-41)8-9-26(51)23(2)25-12-14-46(7)30-11-10-29-44(4,5)31(13-15-47(29)21-48(30,47)17-16-45(25,46)6)64-42-39(59)36(56)40(24(3)61-42)65-43-38(58)35(55)33(53)28(19-50)63-43/h8,23-43,49-59H,9-21H2,1-7H3/b22-8-/t23-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,45+,46-,47+,48-/m0/s1
InChIKey: InChIKey=YZUVUDWWIUEQBQ-SBOFCHIGSA-N
Formula: C48H80O17
Molecular Weight: 929.140467
Exact Mass: 928.539551
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, X.T., Zhang, L.H., Ye, W.C., Zhang, X.L., Yin, Z.Q., Zhao, S.X., Yao, X.S. Chem Pharm Bull (2006) 54, 107-10
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) | 32.2 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.7 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 48 |
| 9 (C) | 20.1 |
| 10 (C) | 26.7 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 35.8 |
| 13 (C) | 45.5 |
| 14 (C) | 49.1 |
| 15 (CH2) | 33.4 |
| 16 (CH2) | 28 |
| 17 (CH) | 49.1 |
| 18 (CH3) | 18.3 |
| 19 (CH2) | 29.7 |
| 20 (CH) | 41.7 |
| 21 (CH3) | 12.1 |
| 22 (CH) | 73 |
| 23 (CH2) | 35 |
| 24 (CH) | 128.5 |
| 25 (C) | 133.2 |
| 26 (CH2) | 67.4 |
| 27 (CH3) | 22.2 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 15.4 |
| 1' (CH) | 106.9 |
| 2' (CH) | 73.5 |
| 3' (CH) | 75.7 |
| 4' (CH) | 83.4 |
| 5' (CH) | 70.4 |
| 6' (CH3) | 17.7 |
| 1'' (CH) | 107 |
| 2'' (CH) | 76.2 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 62.8 |
| 1''' (CH) | 103 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 71.7 |
| 5''' (CH) | 78.4 |
| 6''' (CH2) | 62.9 |
