Spektraris NMR
(23R,24R)-16b ,23;16a ,24-diepoxy-cycloart-7-en-3b ,12b ,15a ,25-tetraol 3-O-b -D-xylopyranoside
Common Name: (23R,24R)-16b ,23;16a ,24-diepoxy-cycloart-7-en-3b ,12b ,15a ,25-tetraol 3-O-b -D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O10/c1-16-12-18-26(30(4,5)41)45-35(44-18)25(16)32(7)21(37)13-34-15-33(34)11-10-22(43-27-24(39)23(38)17(36)14-42-27)29(2,3)19(33)8-9-20(34)31(32,6)28(35)40/h9,16-19,21-28,36-41H,8,10-15H2,1-7H3/t16-,17-,18+,19+,21-,22+,23+,24-,25-,26-,27+,28-,31-,32-,33-,34+,35+/m1/s1
InChIKey: InChIKey=BMKNOSRJCLLJRG-LRJQICLOSA-N
Formula: C35H54O10
Molecular Weight: 634.798606
Exact Mass: 634.371698
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) | 30.6 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 88.3 |
| 4 (C) | 40.5 |
| 5 (CH) | 42.8 |
| 6 (CH2) | 21.9 |
| 7 (CH) | 114.4 |
| 8 (C) | 147.5 |
| 9 (C) | 22 |
| 10 (C) | 28.1 |
| 11 (CH2) | 40.3 |
| 12 (CH) | 72.4 |
| 13 (C) | 47 |
| 14 (C) | 51.5 |
| 15 (CH) | 78.6 |
| 16 (C) | 112.6 |
| 17 (CH) | 61.1 |
| 18 (CH3) | 13.2 |
| 19 (CH2) | 28.7 |
| 20 (CH) | 23.4 |
| 21 (CH3) | 20.8 |
| 22 (CH2) | 30.3 |
| 23 (CH) | 73.7 |
| 24 (CH) | 84.1 |
| 25 (C) | 68.7 |
| 26 (CH3) | 30.8 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 25.9 |
| 29 (CH3) | 18.4 |
| 30 (CH3) | 14.4 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.2 |
