Spektraris NMR
Alexandroside I
Common Name: Alexandroside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H62O10/c1-18(8-9-23(40)32(4,5)44)25-20(39)15-34(7)22-14-19(38)29-31(2,3)24(46-30-28(43)27(42)26(41)21(16-37)45-30)10-11-36(29)17-35(22,36)13-12-33(25,34)6/h18-30,37-44H,8-17H2,1-7H3/t18-,19+,20+,21-,22+,23+,24+,25+,26-,27+,28-,29+,30+,33-,34+,35+,36-/m1/s1
InChIKey: InChIKey=DAIWNSRTSAKURT-TZSIRQRKSA-N
Formula: C36H62O10
Molecular Weight: 654.872868
Exact Mass: 654.434298
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) | 32.8 |
| 2 (CH2) | 30.6 |
| 3 (CH) | 89.5 |
| 4 (C) | 43 |
| 5 (CH) | 54.2 |
| 6 (CH) | 68.4 |
| 7 (CH2) | 38.7 |
| 8 (CH) | 47.5 |
| 9 (C) | 21.5 |
| 10 (C) | 29.6 |
| 11 (CH2) | 26.6 |
| 12 (CH2) | 33.5 |
| 13 (C) | 46 |
| 14 (C) | 47.1 |
| 15 (CH2) | 48.6 |
| 16 (CH) | 71.9 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 19.4 |
| 19 (CH2) | 30.5 |
| 20 (CH) | 29.2 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 33.6 |
| 23 (CH2) | 28.4 |
| 24 (CH) | 77.9 |
| 25 (C) | 72.3 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 20.5 |
| 30 (CH3) | 17.1 |
| 1' (CH) | 107.1 |
| 2' (CH) | 76 |
| 3' (CH) | 78.7 |
| 4' (CH) | 72.3 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63.1 |
