Spektraris NMR
1b,6a-Dihydroxycostic acid ethyl ester
Common Name: 1b,6a-Dihydroxycostic acid ethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-5-21-16(20)11(3)12-8-9-17(4)13(18)7-6-10(2)14(17)15(12)19/h12-15,18-19H,2-3,5-9H2,1,4H3/t12-,13+,14+,15-,17-/m0/s1
InChIKey: InChIKey=FIFQGYSWRXETDB-CLBVLKOUSA-N
Formula: C17H26O4
Molecular Weight: 294.38659
Exact Mass: 294.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sun, C.M., Syu, W.J., Don, M.J., Lu, J.J., Lee, G.H. J Nat Prod (2003) 66, 1175-80
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) | 78.7 |
| 2 (CH2) | 31.7 |
| 3 (CH2) | 34.9 |
| 4 (C) | 145 |
| 5 (CH) | 55.3 |
| 6 (CH) | 69.1 |
| 7 (CH) | 47.5 |
| 8 (CH2) | 26.2 |
| 9 (CH2) | 36.2 |
| 10 (C) | 41.8 |
| 11 (C) | 142.8 |
| 12 (C) | 167.6 |
| 13 (CH2) | 124.7 |
| 14 (CH3) | 11.5 |
| 15 (CH2) | 108.4 |
| 12a (CH2) | 60.8 |
| 12b (CH3) | 14.1 |
