Spektraris NMR
Askendoside D
Common Name: Askendoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H74O17/c1-39(2)26(60-38-33(30(52)23(49)18-58-38)61-37-32(54)29(51)22(48)17-57-37)9-11-45-19-44(45)13-12-41(5)34(43(7)10-8-27(62-43)40(3,4)55)20(46)15-42(41,6)25(44)14-24(35(39)45)59-36-31(53)28(50)21(47)16-56-36/h20-38,46-55H,8-19H2,1-7H3/t20-,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,41+,42-,43+,44-,45+/m0/s1
InChIKey: InChIKey=NAUZBQMEOYSERD-CJBNBKLGSA-N
Formula: C45H74O17
Molecular Weight: 887.060615
Exact Mass: 886.492601
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Karimov, R.Z., Kachala, V.V., Ramazanov, N.S., Saatov, Z., Shashkov, A.S. Chem Nat Compd (2001) 37, 524-8
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) | 31.85 |
| 2 (CH2) | 30 |
| 3 (CH) | 87.75 |
| 4 (C) | 42.6 |
| 5 (CH) | 51.95 |
| 6 (CH) | 77.25 |
| 7 (CH2) | 33.1 |
| 8 (CH) | 43.45 |
| 9 (C) | 21.3 |
| 10 (C) | 27.95 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.5 |
| 13 (C) | 45.25 |
| 14 (C) | 46.2 |
| 15 (CH2) | 45.55 |
| 16 (CH) | 73.35 |
| 17 (CH) | 58.05 |
| 18 (CH3) | 20.2 |
| 19 (CH2) | 25.9 |
| 20 (C) | 87.35 |
| 21 (CH3) | 28.6 |
| 22 (CH2) | 34.9 |
| 23 (CH2) | 26.45 |
| 24 (CH) | 81.7 |
| 25 (C) | 71.25 |
| 26 (CH3) | 28.05 |
| 27 (CH3) | 27 |
| 28 (CH3) | 27.65 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 16.35 |
| 1' (CH) | 105.25 |
| 2' (CH) | 83.4 |
| 3' (CH) | 77.4 |
| 4' (CH) | 70.95 |
| 5' (CH2) | 66.45 |
| 1'' (CH) | 106.5 |
| 2'' (CH) | 73.4 |
| 3'' (CH) | 74.1 |
| 4'' (CH) | 68.95 |
| 5'' (CH2) | 66.9 |
| 1''' (CH) | 105.55 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 78 |
| 4''' (CH) | 70.8 |
| 5''' (CH2) | 66.75 |
