Spektraris NMR
1b,3β,6α-trihydroxy-4α(15)-dihydrocostic acid methyl ester-1-O-b-glucopyranoside
Common Name: 1b,3β,6α-trihydroxy-4α(15)-dihydrocostic acid methyl ester-1-O-b-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O10/c1-9(20(29)30-4)11-5-6-22(3)14(7-12(24)10(2)15(22)16(11)25)32-21-19(28)18(27)17(26)13(8-23)31-21/h10-19,21,23-28H,1,5-8H2,2-4H3/t10-,11-,12-,13+,14+,15+,16-,17+,18-,19+,21-,22-/m0/s1
InChIKey: InChIKey=UIUPSHYSTLJURC-SXQTTWSWSA-N
Formula: C22H36O10
Molecular Weight: 460.516106
Exact Mass: 460.230847
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Michalska, K., Kisiel, W. Biochem Syst Ecol (2009) 37, 519-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 83.38 |
| 2 (CH2) | 30.05 |
| 3 (CH) | 70.86 |
| 4 (CH) | 33.3 |
| 5 (CH) | 50.24 |
| 6 (CH) | 68.59 |
| 7 (CH) | 50.24 |
| 8 (CH2) | 26.9 |
| 9 (CH2) | 39.22 |
| 10 (C) | 39.34 |
| 11 (C) | 143.31 |
| 12 (C) | 167.89 |
| 13 (CH2) | 124.42 |
| 14 (CH3) | 15.08 |
| 15 (CH3) | 7.33 |
| 1' (CH) | 100.46 |
| 2' (CH) | 73.67 |
| 3' (CH) | 76.82 |
| 4' (CH) | 70.48 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 61.59 |
| 12a (CH3) | 50.74 |
