Spektraris NMR
Cyclocanthoside A
Common Name: Cyclocanthoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H60O9/c1-18(8-9-23(39)31(4,5)42)25-20(37)15-33(7)22-14-19(36)28-30(2,3)24(44-29-27(41)26(40)21(38)16-43-29)10-11-35(28)17-34(22,35)13-12-32(25,33)6/h18-29,36-42H,8-17H2,1-7H3/t18-,19+,20+,21-,22+,23+,24+,25+,26+,27-,28+,29+,32-,33+,34+,35-/m1/s1
InChIKey: InChIKey=WWWSFRYQXBVZOD-IAULGATISA-N
Formula: C35H60O9
Molecular Weight: 624.846846
Exact Mass: 624.423734
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) | 32.52 |
| 2 (CH2) | 28.65 |
| 3 (CH) | 88.74 |
| 4 (C) | 42.71 |
| 5 (CH) | 54.11 |
| 6 (CH) | 67.93 |
| 7 (CH2) | 38.42 |
| 8 (CH) | 48.36 |
| 9 (C) | 21.36 |
| 10 (C) | 30.35 |
| 11 (CH2) | 26.28 |
| 12 (CH2) | 33.19 |
| 13 (C) | 45.73 |
| 14 (C) | 46.81 |
| 15 (CH2) | 46.99 |
| 16 (CH) | 72.01 |
| 17 (CH) | 57.35 |
| 18 (CH3) | 18.28 |
| 19 (CH2) | 29.53 |
| 20 (CH) | 28.86 |
| 21 (CH3) | 18.91 |
| 22 (CH2) | 33.03 |
| 23 (CH2) | 27.91 |
| 24 (CH) | 77.19 |
| 25 (C) | 72.54 |
| 26 (CH3) | 25.71 |
| 27 (CH3) | 26.47 |
| 28 (CH3) | 29.25 |
| 29 (CH3) | 20.14 |
| 30 (CH3) | 16.15 |
| 1' (CH) | 107.59 |
| 2' (CH) | 75.61 |
| 3' (CH) | 78.49 |
| 4' (CH) | 71.26 |
| 5' (CH2) | 67.04 |
