Spektraris NMR
Cumingianoside D
Common Name: Cumingianoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3/t21-,24-,25?,26+,27+,28-,29+,30+,31?,32+,33-,34+,35-,37+,38-,39+,40+/m0/s1
InChIKey: InChIKey=PVMHLUQSCKSBOW-NFPZEZDQSA-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) | 34.6 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 78.3 |
| 4 (C) | 37.8 |
| 5 (CH) | 41.6 |
| 6 (CH2) | 20.9 |
| 7 (CH) | 78.3 |
| 8 (C) | 35.6 |
| 9 (CH) | 45.4 |
| 10 (C) | 38.4 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 28.3 |
| 13 (C) | 27.3 |
| 14 (C) | 39.6 |
| 15 (CH2) | 25.8 |
| 16 (CH2) | 26.2 |
| 17 (CH) | 53.1 |
| 18 (CH2) | 17.6 |
| 19 (CH3) | 16.4 |
| 20 (CH) | 34.2 |
| 21 (CH3) | 19 |
| 22 (CH2) | 38.4 |
| 23 (CH) | 72.5 |
| 24 (CH) | 79.4 |
| 25 (C) | 147.6 |
| 26 (CH2) | 112.6 |
| 27 (CH3) | 21.2 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 22.4 |
| 30 (CH3) | 20.5 |
| 1' (CH) | 100.5 |
| 2' (CH) | 75 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.7 |
| 5' (CH) | 74.7 |
| 6' (CH2) | 64.8 |
| 7' (C) | 20.6 |
| 8' (CH3) | 20.9 |
| 3a (C) | 170.9 |
| 3b (CH3) | 171 |
