Spektraris NMR
Cycloaraloside E
Common Name: Cycloaraloside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O15/c1-36(2)24(55-34-30(51)28(49)26(47)21(16-43)53-34)9-11-42-18-41(42)13-12-38(5)33(20(46)15-39(38,6)23(41)14-19(45)32(36)42)40(7)10-8-25(56-40)37(3,4)57-35-31(52)29(50)27(48)22(17-44)54-35/h19-35,43-52H,8-18H2,1-7H3/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=SJQZFBFRPIJBGH-YRFISRSPSA-N
Formula: C42H70O15
Molecular Weight: 814.997834
Exact Mass: 814.471472
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) | 32.4 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.95 |
| 4 (C) | 42.6 |
| 5 (CH) | 53.85 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 38.55 |
| 8 (CH) | 46.95 |
| 9 (C) | 20.7 |
| 10 (C) | 29.25 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 33.45 |
| 13 (C) | 45.15 |
| 14 (C) | 46.05 |
| 15 (CH2) | 46.05 |
| 16 (CH) | 73.8 |
| 17 (CH) | 58.2 |
| 18 (CH3) | 21.45 |
| 19 (CH2) | 30.45 |
| 20 (C) | 87.15 |
| 21 (CH3) | 27.75 |
| 22 (CH2) | 34.95 |
| 23 (CH2) | 25.8 |
| 24 (CH) | 82.05 |
| 25 (C) | 78.45 |
| 26 (CH3) | 22.8 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 28.65 |
| 29 (CH3) | 19.95 |
| 30 (CH3) | 16.5 |
| 1' (CH) | 106.95 |
| 2' (CH) | 75.75 |
| 3' (CH) | 78.45 |
| 4' (CH) | 71.85 |
| 5' (CH) | 77.85 |
| 6' (CH2) | 62.83 |
| 1'' (CH) | 98.7 |
| 2'' (CH) | 75.15 |
| 3'' (CH) | 78.45 |
| 4'' (CH) | 71.25 |
| 5'' (CH) | 77.85 |
| 6'' (CH2) | 62.7 |
