Spektraris NMR
Cycloalpioside B
Common Name: Cycloalpioside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O9/c1-29(2)20-8-9-21-31(5)14-18(36)27(32(6)12-10-24(44-32)30(3,4)41)33(31,7)22(38)15-35(21)17-34(20,35)13-11-23(29)43-28-26(40)25(39)19(37)16-42-28/h18-28,36-41H,8-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,24-,25-,26+,27+,28-,31-,32+,33+,34+,35-/m0/s1
InChIKey: InChIKey=SCIAUQBOBVFZDU-MZFKSHGISA-N
Formula: C35H58O9
Molecular Weight: 622.830964
Exact Mass: 622.408083
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) | 32.36 |
| 2 (CH2) | 30.12 |
| 3 (CH) | 88.47 |
| 4 (C) | 41.35 |
| 5 (CH) | 47.65 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 26.03 |
| 8 (CH) | 48.9 |
| 9 (C) | 19.94 |
| 10 (C) | 26.81 |
| 11 (CH2) | 38.76 |
| 12 (CH) | 72.77 |
| 13 (C) | 49.85 |
| 14 (C) | 50.76 |
| 15 (CH2) | 46.44 |
| 16 (CH) | 72.77 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 21.97 |
| 19 (CH2) | 30.12 |
| 20 (C) | 87.53 |
| 21 (CH3) | 25.75 |
| 22 (CH2) | 38.38 |
| 23 (CH2) | 26.29 |
| 24 (CH) | 83.48 |
| 25 (C) | 70.78 |
| 26 (CH3) | 27.03 |
| 27 (CH3) | 27.47 |
| 28 (CH3) | 27.47 |
| 29 (CH3) | 21.19 |
| 30 (CH3) | 15.5 |
| 1' (CH) | 107.55 |
| 2' (CH) | 75.54 |
| 3' (CH) | 78.57 |
| 4' (CH) | 71.22 |
| 5' (CH2) | 67.09 |
