Spektraris NMR
Cycloalpioside C
Common Name: Cycloalpioside C
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-SCWAIMTDSA-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) | 31.81 |
| 2 (CH2) | 29.76 |
| 3 (CH) | 88.22 |
| 4 (C) | 41.12 |
| 5 (CH) | 46.9 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 25.41 |
| 8 (CH) | 45.04 |
| 9 (C) | 20.23 |
| 10 (C) | 26.96 |
| 11 (CH2) | 37.05 |
| 12 (CH) | 72.01 |
| 13 (C) | 48.53 |
| 14 (C) | 51.93 |
| 15 (CH2) | 48.16 |
| 16 (CH) | 72.22 |
| 17 (CH) | 60.11 |
| 18 (CH3) | 13.56 |
| 19 (CH2) | 29.16 |
| 20 (C) | 87.27 |
| 21 (CH3) | 25.9 |
| 22 (CH2) | 38.93 |
| 23 (CH2) | 26.06 |
| 24 (CH) | 84.53 |
| 25 (C) | 71.05 |
| 26 (CH3) | 25.68 |
| 27 (CH3) | 26.15 |
| 28 (CH3) | 27.37 |
| 29 (CH3) | 19.87 |
| 30 (CH3) | 15.19 |
| 1' (CH) | 107.36 |
| 2' (CH) | 75.41 |
| 3' (CH) | 78.43 |
| 4' (CH) | 71.14 |
| 5' (CH2) | 66.96 |
