Spektraris NMR
Cumingianoside E
Common Name: Cumingianoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H64O11/c1-20(16-24(43)33-36(6,7)51-33)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(48-22(3)42)35(4,5)27(37)17-29(38(26,40)9)50-34-32(46)31(45)30(44)25(49-34)18-47-21(2)41/h20,23-34,43-46H,10-19H2,1-9H3/t20-,23-,24?,25+,26+,27-,28+,29+,30+,31-,32+,33?,34-,37+,38-,39+,40+/m0/s1
InChIKey: InChIKey=BWLUFHQYKRKBLP-HMAXXZSGSA-N
Formula: C40H64O11
Molecular Weight: 720.931098
Exact Mass: 720.444863
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kashiwada, Y., Fujioka, T., Chang, J.J., Chen, I.S., Mihashi, K., Lee, K.H. J Org Chem (1992) 57, 6946
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) | 34.5 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 78.1 |
| 4 (C) | 37 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 20.7 |
| 7 (CH) | 78.1 |
| 8 (C) | 35.1 |
| 9 (CH) | 45.4 |
| 10 (C) | 37.7 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 27.9 |
| 13 (C) | 27 |
| 14 (C) | 39.3 |
| 15 (CH2) | 24.8 |
| 16 (CH2) | 26.1 |
| 17 (CH) | 53 |
| 18 (CH2) | 17.4 |
| 19 (CH3) | 16.3 |
| 20 (CH) | 32.4 |
| 21 (CH3) | 20.2 |
| 22 (CH2) | 38.7 |
| 23 (CH) | 69.7 |
| 24 (CH) | 70.1 |
| 25 (C) | 58.7 |
| 26 (CH3) | 25.2 |
| 27 (CH3) | 20.8 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 20.3 |
| 1' (CH) | 100.3 |
| 2' (CH) | 75 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.6 |
| 5' (CH) | 74.6 |
| 6' (CH2) | 64.7 |
| 7' (C) | 170.8 |
| 8' (CH3) | 21.1 |
| 3a (C) | 170.7 |
| 3b (CH3) | 20.9 |
