Spektraris NMR
(23R,24R)-16b ,23;16a ,24-diepoxy-cycloartane-3b,15a,25-triol 3-O-b-D-xylopyranoside
Common Name: (23R,24R)-16b ,23;16a ,24-diepoxy-cycloartane-3b,15a,25-triol 3-O-b-D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19+,20+,21+,22+,23+,24-,25-,26-,27+,28-,31-,32-,33-,34+,35+/m1/s1
InChIKey: InChIKey=BTPYUWOBZFGKAI-WGPBIJTDSA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshimitsu, H., Nishida, M., Sakaguchi, M., Nohara, T. Chem Pharm Bull (2006) 54, 1322-5
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) | 30.2 |
| 3 (CH) | 88.6 |
| 4 (C) | 41.4 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 26.4 |
| 8 (CH) | 48.7 |
| 9 (C) | 20.1 |
| 10 (C) | 26.7 |
| 11 (CH2) | 26.6 |
| 12 (CH2) | 34 |
| 13 (C) | 41.8 |
| 14 (C) | 47.5 |
| 15 (CH) | 80.8 |
| 16 (C) | 112.3 |
| 17 (CH) | 60.8 |
| 18 (CH3) | 19.6 |
| 19 (CH2) | 30.2 |
| 20 (CH) | 23.5 |
| 21 (CH3) | 19.6 |
| 22 (CH2) | 29.7 |
| 23 (CH) | 73.7 |
| 24 (CH) | 84.1 |
| 25 (C) | 68.6 |
| 26 (CH3) | 30.8 |
| 27 (CH3) | 26 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 11.7 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
