Spektraris NMR
Cycloalpioside D
Common Name: Cycloalpioside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O9/c1-29(2)21-14-18(36)27-32(6)15-19(37)26(33(7)10-8-23(44-33)30(3,4)41)31(32,5)12-13-35(27)17-34(21,35)11-9-22(29)43-28-25(40)24(39)20(38)16-42-28/h18-28,36-41H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1
InChIKey: InChIKey=PXPSWCSHCOYFJX-LEKXGGQYSA-N
Formula: C35H58O9
Molecular Weight: 622.830964
Exact Mass: 622.408083
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) | 31.74 |
| 2 (CH2) | 29.88 |
| 3 (CH) | 88.22 |
| 4 (C) | 40.93 |
| 5 (CH) | 46.31 |
| 6 (CH2) | 31.74 |
| 7 (CH) | 70.21 |
| 8 (CH) | 55.05 |
| 9 (C) | 19.94 |
| 10 (C) | 27.04 |
| 11 (CH2) | 26.67 |
| 12 (CH2) | 33.31 |
| 13 (C) | 45.49 |
| 14 (C) | 46.31 |
| 15 (CH2) | 48.7 |
| 16 (CH) | 73.73 |
| 17 (CH) | 57.96 |
| 18 (CH3) | 21.21 |
| 19 (CH2) | 28.83 |
| 20 (C) | 87.25 |
| 21 (CH3) | 28.61 |
| 22 (CH2) | 34.96 |
| 23 (CH2) | 26.67 |
| 24 (CH) | 81.64 |
| 25 (C) | 71.19 |
| 26 (CH3) | 27.04 |
| 27 (CH3) | 28.16 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 19.94 |
| 30 (CH3) | 15.23 |
| 1' (CH) | 107.49 |
| 2' (CH) | 75.44 |
| 3' (CH) | 78.51 |
| 4' (CH) | 71.19 |
| 5' (CH2) | 67 |
