Spektraris NMR
Cycloalpioside A
Common Name: Cycloalpioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/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/h18-21,23-28,36-37,39-41H,8-17H2,1-7H3/t18-,19+,20-,21-,23-,24-,25-,26+,27+,28-,31-,32+,33+,34+,35-/m0/s1
InChIKey: InChIKey=BXULRKKHDGLDJA-UUGAODIESA-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) | 32.61 |
| 2 (CH2) | 30.49 |
| 3 (CH) | 88.03 |
| 4 (C) | 41.2 |
| 5 (CH) | 47.49 |
| 6 (CH2) | 20.75 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 47.6 |
| 9 (C) | 20.02 |
| 10 (C) | 26.43 |
| 11 (CH2) | 45.79 |
| 12 (C) | 211.22 |
| 13 (C) | 60.93 |
| 14 (C) | 47.18 |
| 15 (CH2) | 45.96 |
| 16 (CH) | 73.01 |
| 17 (CH) | 49.82 |
| 18 (CH3) | 14.96 |
| 19 (CH2) | 30.86 |
| 20 (C) | 87.21 |
| 21 (CH3) | 25.7 |
| 22 (CH2) | 36 |
| 23 (CH2) | 26.43 |
| 24 (CH) | 82.3 |
| 25 (C) | 70.68 |
| 26 (CH3) | 27.26 |
| 27 (CH3) | 27.84 |
| 28 (CH3) | 27.26 |
| 29 (CH3) | 20.45 |
| 30 (CH3) | 15.38 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.55 |
| 3' (CH) | 78.58 |
| 4' (CH) | 71.23 |
| 5' (CH2) | 67.1 |
