Spektraris NMR
12b-Hydroxycimigenol-3-O-b -D-xylopyranosyl-(1→3)-b -D-xylopyranoside
Common Name: 12b-Hydroxycimigenol-3-O-b -D-xylopyranosyl-(1→3)-b -D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H64O14/c1-17-12-20-30(35(4,5)48)54-40(53-20)29(17)37(7)23(43)13-39-16-38(39)11-10-24(34(2,3)21(38)8-9-22(39)36(37,6)33(40)47)51-32-27(46)28(19(42)15-50-32)52-31-26(45)25(44)18(41)14-49-31/h17-33,41-48H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23-,24+,25+,26-,27-,28+,29-,30+,31+,32+,33-,36-,37-,38-,39+,40+/m1/s1
InChIKey: InChIKey=PNTWYWKENZSIGV-PJAAXTICSA-N
Formula: C40H64O14
Molecular Weight: 768.929313
Exact Mass: 768.429607
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, L., Yang, J.S., Tu, G.Z., Zou, J.H. Chem Pharm Bull (2006) 54, 823-6
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) | 32.5 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.7 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 26.1 |
| 8 (CH) | 47.3 |
| 9 (C) | 20.8 |
| 10 (C) | 26.6 |
| 11 (CH2) | 40.9 |
| 12 (CH) | 72.8 |
| 13 (C) | 47.9 |
| 14 (C) | 48.4 |
| 15 (CH) | 80 |
| 16 (C) | 112.3 |
| 17 (CH) | 59.9 |
| 18 (CH3) | 12 |
| 19 (CH2) | 30.7 |
| 20 (CH) | 24.1 |
| 21 (CH3) | 21.1 |
| 22 (CH2) | 38.8 |
| 23 (CH) | 71.8 |
| 24 (CH) | 90 |
| 25 (C) | 71 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 27.1 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 11.8 |
| 1' (CH) | 107.1 |
| 2' (CH) | 74.5 |
| 3' (CH) | 87.5 |
| 4' (CH) | 69.4 |
| 5' (CH2) | 66.6 |
| 1'' (CH) | 106.2 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71 |
| 5'' (CH2) | 67.4 |
