Spektraris NMR
Cyclounifolioside D
Common Name: Cyclounifolioside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H64O11/c1-19(9-10-25(42)34(5,6)46)27-22(47-20(2)40)16-36(8)24-15-21(41)31-33(3,4)26(49-32-30(45)29(44)28(43)23(17-39)48-32)11-12-38(31)18-37(24,38)14-13-35(27,36)7/h19,21-32,39,41-46H,9-18H2,1-8H3/t19-,21+,22+,23-,24+,25-,26+,27+,28-,29+,30-,31+,32+,35-,36+,37+,38-/m1/s1
InChIKey: InChIKey=YCAQCYXQKZDJRO-MINLSYBISA-N
Formula: C38H64O11
Molecular Weight: 696.909627
Exact Mass: 696.444863
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) | 32.19 |
| 2 (CH2) | 29.74 |
| 3 (CH) | 88.84 |
| 4 (C) | 42.42 |
| 5 (CH) | 53.8 |
| 6 (CH) | 67.63 |
| 7 (CH2) | 32.56 |
| 8 (CH) | 45.68 |
| 9 (C) | 20.89 |
| 10 (C) | 28.66 |
| 11 (CH2) | 25.97 |
| 12 (CH2) | 33.19 |
| 13 (C) | 46.82 |
| 14 (C) | 45.68 |
| 15 (CH2) | 46.51 |
| 16 (CH) | 75.42 |
| 17 (CH) | 55.26 |
| 18 (CH3) | 18.23 |
| 19 (CH2) | 29.08 |
| 20 (CH) | 31.59 |
| 21 (CH3) | 18.33 |
| 22 (CH2) | 33.95 |
| 23 (CH2) | 30.13 |
| 24 (CH) | 79.18 |
| 25 (C) | 72.59 |
| 26 (CH3) | 25.74 |
| 27 (CH3) | 25.68 |
| 28 (CH3) | 27.41 |
| 29 (CH3) | 19.76 |
| 30 (CH3) | 16.51 |
| 1' (CH) | 106.68 |
| 2' (CH) | 75.69 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.66 |
| 5' (CH) | 77.93 |
| 6' (CH2) | 62.83 |
| 16a (C) | 170.6 |
| 16b (CH3) | 21.21 |
