Spektraris NMR
Cycloaraloside D
Common Name: Cycloaraloside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O14/c1-19-26(46)28(48)30(50)34(52-19)55-31-29(49)27(47)22(17-43)53-35(31)54-24-10-12-42-18-41(42)14-13-38(6)33(40(8)11-9-25(56-40)37(4,5)51)21(45)16-39(38,7)23(41)15-20(44)32(42)36(24,2)3/h19-35,43-51H,9-18H2,1-8H3/t19-,20-,21-,22+,23-,24-,25-,26-,27+,28+,29-,30+,31+,32-,33-,34-,35-,38+,39-,40+,41-,42+/m0/s1
InChIKey: InChIKey=BVUAQQZYVCEVEJ-MQILGPCHSA-N
Formula: C42H70O14
Molecular Weight: 798.998429
Exact Mass: 798.476557
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) | 32.72 |
| 2 (CH2) | 30.25 |
| 3 (CH) | 88.55 |
| 4 (C) | 42.61 |
| 5 (CH) | 54.31 |
| 6 (CH) | 67.99 |
| 7 (CH2) | 38.36 |
| 8 (CH) | 46.96 |
| 9 (C) | 21.06 |
| 10 (C) | 29.63 |
| 11 (CH2) | 26.48 |
| 12 (CH2) | 33.66 |
| 13 (C) | 45.38 |
| 14 (C) | 46.35 |
| 15 (CH2) | 46.87 |
| 16 (CH) | 73.4 |
| 17 (CH) | 58.56 |
| 18 (CH3) | 21.35 |
| 19 (CH2) | 30.51 |
| 20 (C) | 87.2 |
| 21 (CH3) | 27.99 |
| 22 (CH2) | 35.21 |
| 23 (CH2) | 26.34 |
| 24 (CH) | 82.03 |
| 25 (C) | 71.19 |
| 26 (CH3) | 27.08 |
| 27 (CH3) | 28.4 |
| 28 (CH3) | 28.69 |
| 29 (CH3) | 20.23 |
| 30 (CH3) | 16.71 |
| 1' (CH) | 105.09 |
| 2' (CH) | 79.57 |
| 3' (CH) | 78.42 |
| 4' (CH) | 72.6 |
| 5' (CH) | 77.51 |
| 6' (CH2) | 63.21 |
| 1'' (CH) | 101.51 |
| 2'' (CH) | 72.22 |
| 3'' (CH) | 72.55 |
| 4'' (CH) | 74.28 |
| 5'' (CH) | 69.46 |
| 6'' (CH3) | 18.47 |
