Spektraris NMR
Cumingianoside F
Common Name: Cumingianoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H62O10/c1-19(15-22(40)31-34(5,6)48-31)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)47-32-30(44)29(43)28(42)23(46-32)17-45-20(2)39/h19,21-32,40-44H,9-18H2,1-8H3/t19-,21-,22?,23+,24+,25-,26+,27+,28+,29-,30+,31?,32-,35+,36-,37+,38+/m0/s1
InChIKey: InChIKey=YJTJWLZANYUOEB-PGWQPMBRSA-N
Formula: C38H62O10
Molecular Weight: 678.89434
Exact Mass: 678.434298
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) | 34.1 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 75.8 |
| 4 (C) | 37.9 |
| 5 (CH) | 40.4 |
| 6 (CH2) | 21.6 |
| 7 (CH) | 78.3 |
| 8 (C) | 35.3 |
| 9 (CH) | 45.4 |
| 10 (C) | 38 |
| 11 (CH2) | 17.6 |
| 12 (CH2) | 28.2 |
| 13 (C) | 27.1 |
| 14 (C) | 39.4 |
| 15 (CH2) | 25 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 53.2 |
| 18 (CH2) | 17.9 |
| 19 (CH3) | 16.8 |
| 20 (CH) | 32.5 |
| 21 (CH3) | 20.4 |
| 22 (CH2) | 39 |
| 23 (CH) | 69.8 |
| 24 (CH) | 70 |
| 25 (C) | 59 |
| 26 (CH3) | 25.3 |
| 27 (CH3) | 21 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 20.6 |
| 1' (CH) | 101.3 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.7 |
| 5' (CH) | 74.6 |
| 6' (CH2) | 65 |
| 7' (C) | 171.1 |
| 8' (CH3) | 21.6 |
