Spektraris NMR
Cumingianoside B
Common Name: Cumingianoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H64O11/c1-19(15-22(41)31(45)34(5,6)46)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(47-20(2)40)33(3,4)25(35)16-27(36(24,38)8)49-32-30(44)29(43)28(42)23(17-39)48-32/h19,21-32,39,41-46H,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=LEUVBPJNWLQXPO-PGWQPMBRSA-N
Formula: C38H64O11
Molecular Weight: 696.909627
Exact Mass: 696.444863
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) | 23.6 |
| 3 (CH) | 77.4 |
| 4 (C) | 37.2 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 20.4 |
| 7 (CH) | 78.6 |
| 8 (C) | 35.7 |
| 9 (CH) | 45.4 |
| 10 (C) | 37.9 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 28.2 |
| 13 (C) | 27.9 |
| 14 (C) | 39.8 |
| 15 (CH2) | 25.8 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 53.6 |
| 18 (CH2) | 17.5 |
| 19 (CH3) | 16.4 |
| 20 (CH) | 33.3 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 39.6 |
| 23 (CH) | 69.7 |
| 24 (CH) | 77.3 |
| 25 (C) | 74 |
| 26 (CH3) | 27.9 |
| 27 (CH3) | 27.4 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 20.5 |
| 1' (CH) | 99.8 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.4 |
| 4' (CH) | 72.5 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.5 |
| 3a (C) | 171.2 |
| 3b (CH3) | 21.4 |
