Spektraris NMR
Cumingianoside A
Common Name: Cumingianoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H66O12/c1-20(16-24(43)33(47)36(6,7)48)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(50-22(3)42)35(4,5)27(37)17-29(38(26,40)9)52-34-32(46)31(45)30(44)25(51-34)18-49-21(2)41/h20,23-34,43-48H,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=LWBFDADHSVYUPS-HMAXXZSGSA-N
Formula: C40H66O12
Molecular Weight: 738.946385
Exact Mass: 738.455428
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) | 34.4 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 77.9 |
| 4 (C) | 36.9 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 20.6 |
| 7 (CH) | 78.6 |
| 8 (C) | 35.4 |
| 9 (CH) | 45.3 |
| 10 (C) | 37.6 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 28.1 |
| 13 (C) | 30.5 |
| 14 (C) | 39.3 |
| 15 (CH2) | 25.4 |
| 16 (CH2) | 26 |
| 17 (CH) | 53.4 |
| 18 (CH2) | 17.4 |
| 19 (CH3) | 16.2 |
| 20 (CH) | 33 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 39.6 |
| 23 (CH) | 69.5 |
| 24 (CH) | 77 |
| 25 (C) | 73.6 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 27.1 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 20.3 |
| 1' (CH) | 100.1 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.5 |
| 5' (CH) | 74.6 |
| 6' (CH2) | 64.6 |
| 3a (C) | 169.2 |
| 3b (CH3) | 21 |
| 6'b (C) | 169.4 |
| 6'c (CH3) | 20.8 |
