Spektraris NMR
Cycloorbicoside B
Common Name: Cycloorbicoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O10/c1-16-12-18-27(30(4,5)41)45-35(44-18)14-32(7)26-22(39)21(38)25-29(2,3)19(43-28-23(40)20(37)17(36)13-42-28)8-9-33(25)15-34(26,33)11-10-31(32,6)24(16)35/h16-28,36-41H,8-15H2,1-7H3/t16-,17-,18-,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,31-,32+,33-,34+,35-/m1/s1
InChIKey: InChIKey=IBFSNKFLAGACSY-WXQOYARPSA-N
Formula: C35H56O10
Molecular Weight: 636.814488
Exact Mass: 636.387348
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) | 32.42 |
| 2 (CH2) | 28.75 |
| 3 (CH) | 88.51 |
| 4 (C) | 42.7 |
| 5 (CH) | 51.79 |
| 6 (CH) | 72.64 |
| 7 (CH) | 74.94 |
| 8 (CH) | 53.5 |
| 9 (C) | 19.64 |
| 10 (C) | 30.3 |
| 11 (CH2) | 26.53 |
| 12 (CH2) | 32.94 |
| 13 (C) | 44.18 |
| 14 (C) | 46.72 |
| 15 (CH2) | 48.74 |
| 16 (C) | 115.12 |
| 17 (CH) | 60.57 |
| 18 (CH3) | 18.64 |
| 19 (CH2) | 31.54 |
| 20 (CH) | 23.78 |
| 21 (CH3) | 19.95 |
| 22 (CH2) | 38.31 |
| 23 (CH) | 71.73 |
| 24 (CH) | 90.5 |
| 25 (C) | 71 |
| 26 (CH3) | 27.93 |
| 27 (CH3) | 24.63 |
| 28 (CH3) | 28.66 |
| 29 (CH3) | 19.17 |
| 30 (CH3) | 16.52 |
| 1' (CH) | 107.72 |
| 2' (CH) | 75.65 |
| 3' (CH) | 78.56 |
| 4' (CH) | 71.22 |
| 5' (CH2) | 67.08 |
