Spektraris NMR
Cycloalpioside
Common Name: Cycloalpioside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-28(2)21-14-18(36)25-31(6)15-20-26(32(7)11-13-35(43-20,44-32)29(3,4)40)30(31,5)10-12-34(25)17-33(21,34)9-8-22(28)42-27-24(39)23(38)19(37)16-41-27/h18-27,36-40H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,23-,24+,25-,26-,27-,30+,31-,32+,33+,34-,35+/m0/s1
InChIKey: InChIKey=WUVDKNKHCRYSIO-WPKBDCLHSA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
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) | 31.83 |
| 2 (CH2) | 29.92 |
| 3 (CH) | 88.13 |
| 4 (C) | 41.03 |
| 5 (CH) | 46.4 |
| 6 (CH2) | 31.83 |
| 7 (CH) | 69.95 |
| 8 (CH) | 54.63 |
| 9 (C) | 19.52 |
| 10 (C) | 27.35 |
| 11 (CH2) | 26.85 |
| 12 (CH2) | 33.1 |
| 13 (C) | 45.11 |
| 14 (C) | 45.59 |
| 15 (CH2) | 45.74 |
| 16 (CH) | 74.33 |
| 17 (CH) | 61.29 |
| 18 (CH3) | 22.14 |
| 19 (CH2) | 29.93 |
| 20 (C) | 84.86 |
| 21 (CH3) | 30.57 |
| 22 (CH2) | 31.67 |
| 23 (CH2) | 33.54 |
| 24 (C) | 110.58 |
| 25 (C) | 72.8 |
| 26 (CH3) | 25.59 |
| 27 (CH3) | 25.23 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 15.32 |
| 1' (CH) | 107.56 |
| 2' (CH) | 75.52 |
| 3' (CH) | 78.59 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67.12 |
