Spektraris NMR
3-O-b -D-glucopyranosyl-(1→4)-b -D-fucopyranosyl (22S,24Z)-cycloart-24-en-3b,22,26-triol 26-O-b -D-xylopyranosyl-(1→6)-b -Dglucopyranoside.
Common Name: 3-O-b -D-glucopyranosyl-(1→4)-b -D-fucopyranosyl (22S,24Z)-cycloart-24-en-3b,22,26-triol 26-O-b -D-xylopyranosyl-(1→6)-b -Dglucopyranoside.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H88O21/c1-23(19-67-46-41(64)38(61)36(59)30(72-46)21-69-45-40(63)34(57)28(56)20-68-45)8-9-27(55)24(2)26-12-14-51(7)32-11-10-31-49(4,5)33(13-15-52(31)22-53(32,52)17-16-50(26,51)6)73-47-43(66)39(62)44(25(3)70-47)74-48-42(65)37(60)35(58)29(18-54)71-48/h8,24-48,54-66H,9-22H2,1-7H3/b23-8-/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-,50+,51-,52+,53-/m0/s1
InChIKey: InChIKey=KISTVNFIXBOXIR-RGHHYHLSSA-N
Formula: C53H88O21
Molecular Weight: 1061.255292
Exact Mass: 1060.58181
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) | 88.6 |
| 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 |
| 5' (CH) | 70.4 |
| 6' (CH3) | 17.9 |
| 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) | 71.5 |
| 5''' (CH) | 77.4 |
| 6''' (CH2) | 70 |
| 1'''' (CH) | 106 |
| 2'''' (CH) | 74.9 |
| 3'''' (CH) | 78.1 |
| 4'''' (CH) | 71.2 |
| 5'''' (CH2) | 67 |
