Spektraris NMR
(23R,24S)-16b ,23;16a ,24-diepoxy-cycloart-7-en-3b ,11b ,25-triol 3-O-b -D-xylopyranoside
Common Name: (23R,24S)-16b ,23;16a ,24-diepoxy-cycloart-7-en-3b ,11b ,25-triol 3-O-b -D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O9/c1-17-12-19-27(30(4,5)40)44-35(43-19)15-32(7)21-9-8-20-29(2,3)23(42-28-25(39)24(38)18(36)14-41-28)10-11-33(20)16-34(21,33)22(37)13-31(32,6)26(17)35/h9,17-20,22-28,36-40H,8,10-16H2,1-7H3/t17-,18-,19+,20+,22+,23+,24+,25-,26-,27+,28+,31-,32+,33-,34+,35-/m1/s1
InChIKey: InChIKey=BYEVNGZCWMHRBE-WYGDUHMHSA-N
Formula: C35H54O9
Molecular Weight: 618.799201
Exact Mass: 618.376783
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) | 27.5 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 88.4 |
| 4 (C) | 40.8 |
| 5 (CH) | 43.9 |
| 6 (CH2) | 22.1 |
| 7 (CH) | 114.2 |
| 8 (C) | 148.8 |
| 9 (C) | 27.7 |
| 10 (C) | 29.2 |
| 11 (CH) | 63.4 |
| 12 (CH2) | 48.4 |
| 13 (C) | 45.6 |
| 14 (C) | 48.2 |
| 15 (CH2) | 45.4 |
| 16 (C) | 114.6 |
| 17 (CH) | 61.1 |
| 18 (CH3) | 19.8 |
| 19 (CH2) | 18.8 |
| 20 (CH) | 23.9 |
| 21 (CH3) | 20.8 |
| 22 (CH2) | 38.1 |
| 23 (CH) | 71.9 |
| 24 (CH) | 90.6 |
| 25 (C) | 71 |
| 26 (CH3) | 27.9 |
| 27 (CH3) | 24.7 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 14.6 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67.1 |
