Spektraris NMR
3-O-b -D-glucopyranosyl-(1→4)-b -D-fucopyranosyl
Common Name: 3-O-b -D-glucopyranosyl-(1→4)-b -D-fucopyranosyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H90O21/c1-23(20-68-47-42(65)39(62)36(59)30(73-47)21-69-46-41(64)37(60)34(57)25(3)70-46)9-10-28(56)24(2)27-13-15-52(8)32-12-11-31-50(5,6)33(14-16-53(31)22-54(32,53)18-17-51(27,52)7)74-48-44(67)40(63)45(26(4)71-48)75-49-43(66)38(61)35(58)29(19-55)72-49/h9,24-49,55-67H,10-22H2,1-8H3/b23-9-/t24-,25+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,49-,51+,52-,53+,54-/m0/s1
InChIKey: InChIKey=RJFWJLUXDOXVBF-HGYOPAIDSA-N
Formula: C54H90O21
Molecular Weight: 1075.28191
Exact Mass: 1074.59746
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) | 48.1 |
| 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 |
| 5' (CH) | 70.4 |
| 6' (CH3) | 18 |
| 1'' (CH) | 106.6 |
| 2'' (CH) | 75.8 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.8 |
| 1''' (CH) | 103 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 71.7 |
| 5''' (CH) | 77.5 |
| 6''' (CH2) | 70 |
| 1'''' (CH) | 105.3 |
| 2'''' (CH) | 75.5 |
| 3'''' (CH) | 78 |
| 4'''' (CH) | 76.9 |
| 5'''' (CH) | 73 |
| 6'''' (CH3) | 18.6 |
