Spektraris NMR
9b-Acetoxy-4,5-dehidro-4(15)-dehidrocostic acid
Common Name: 9b-Acetoxy-4,5-dehidro-4(15)-dehidrocostic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-10-6-5-7-17(4)14(10)8-13(11(2)16(19)20)9-15(17)21-12(3)18/h13,15H,2,5-9H2,1,3-4H3,(H,19,20)/t13?,15-,17-/m0/s1
InChIKey: InChIKey=SJYHSBXOBJXDKM-QJOPWCIASA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rustaiyan, A., Bamonieri, A., Raffatrad, M., Jakupovic, J., Bohlmann, F. Phytochemistry (1987) 26, 2307-10
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 (CH2) | 30.7 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 32.2 |
| 4 (C) | 143.4 |
| 5 (C) | 129 |
| 6 (CH2) | 32.9 |
| 7 (CH) | 37.1 |
| 8 (CH2) | 35.7 |
| 9 (CH) | 79.9 |
| 10 (C) | 39.1 |
| 11 (C) | 131.6 |
| 12 (CH2) | 125.5 |
| 13 (C) | 170.8 |
| 14 (CH3) | 19 |
| 15 (CH3) | 19.8 |
| 9a (C) | 171.8 |
| 9b (CH3) | 21.2 |
