Spektraris NMR
Dendronobiloside A
Common Name: Dendronobiloside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H48O12/c1-12(2)14-6-7-27(3)13(10-36-25-23(34)21(32)19(30)17(8-28)38-25)4-5-16(27)15(14)11-37-26-24(35)22(33)20(31)18(9-29)39-26/h12-26,28-35H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1
InChIKey: InChIKey=BZZQPBIRQSCVAL-QSTLOTDISA-N
Formula: C27H48O12
Molecular Weight: 564.663885
Exact Mass: 564.314577
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, W., Ye, Q., Tan, X., Jiang, H., Li, X., Chen, K., Kinghorn, A.D. J Nat Prod (2001) 64, 1196-200
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Picrotoxanes; 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 (C) | 42 |
| 2 (CH2) | 27.3 |
| 3 (CH2) | 20.2 |
| 4 (CH) | 39.4 |
| 5 (CH) | 36.6 |
| 6 (CH) | 48.7 |
| 7 (CH3) | 23.9 |
| 8 (CH) | 27.1 |
| 9 (CH3) | 22 |
| 10 (CH3) | 15.6 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 51.7 |
| 14 (CH2) | 71.6 |
| 15 (CH2) | 71.5 |
| 1' (CH) | 105.3 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.9 |
| 4' (CH) | 72 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 63.2 |
