Spektraris NMR
Cycloorbicoside D
Common Name: Cycloorbicoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H60O10/c1-17(12-19(37)28(42)31(4,5)43)24-20(38)14-33(7)22-13-18(36)27-30(2,3)23(45-29-26(41)25(40)21(39)15-44-29)8-9-35(27)16-34(22,35)11-10-32(24,33)6/h17-29,36-43H,8-16H2,1-7H3/t17-,18+,19?,20+,21-,22+,23+,24+,25+,26-,27+,28?,29+,32-,33+,34+,35-/m1/s1
InChIKey: InChIKey=ORVDRTHAILDFOL-LIDASFDRSA-N
Formula: C35H60O10
Molecular Weight: 640.846251
Exact Mass: 640.418648
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Agzamova, M.A., Isaev, M.I. Chem Nat Compd (2005) 41, 429-31
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) | 32.43 |
| 2 (CH2) | 29.17 |
| 3 (CH) | 88.67 |
| 4 (C) | 42.8 |
| 5 (CH) | 53.98 |
| 6 (CH) | 67.87 |
| 7 (CH2) | 38.3 |
| 8 (CH) | 46.9 |
| 9 (C) | 21.24 |
| 10 (C) | 30.26 |
| 11 (CH2) | 26.16 |
| 12 (CH2) | 32.95 |
| 13 (C) | 45.57 |
| 14 (C) | 46.72 |
| 15 (CH2) | 47.7 |
| 16 (CH) | 72.07 |
| 17 (CH) | 57.34 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 30 |
| 20 (CH) | 27.25 |
| 21 (CH3) | 20.15 |
| 22 (CH2) | 42.64 |
| 23 (CH) | 73.01 |
| 24 (CH) | 79.07 |
| 25 (C) | 74.27 |
| 26 (CH3) | 24.54 |
| 27 (CH3) | 28.8 |
| 28 (CH3) | 28.77 |
| 29 (CH3) | 20.04 |
| 30 (CH3) | 16.62 |
| 1' (CH) | 107.48 |
| 2' (CH) | 75.51 |
| 3' (CH) | 78.39 |
| 4' (CH) | 71.17 |
| 5' (CH2) | 66.93 |
