Spektraris NMR
5b-Hydroxy-10a-O-angeloyl-3-oxodauc-8-ene
Common Name: 5b-Hydroxy-10a-O-angeloyl-3-oxodauc-8-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-7-14(5)18(22)24-16-10-13(4)8-9-20(23)17(12(2)3)15(21)11-19(16,20)6/h7,10,12,16-17,23H,8-9,11H2,1-6H3/b14-7-/t16-,17-,19-,20+/m0/s1
InChIKey: InChIKey=LHKYRISHBMMAIZ-JMNPCMRGSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.S., Chen, J.J., Zhou, H., Luo, S.D., Wang, H.Y., Zhu, D.Y. Planta Med (2003) 69, 962-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 60.2 |
| 2 (CH2) | 37 |
| 3 (C) | 220.1 |
| 4 (CH) | 50.8 |
| 5 (C) | 82.2 |
| 6 (CH2) | 38.5 |
| 7 (CH2) | 29 |
| 8 (C) | 146.1 |
| 9 (CH) | 119.6 |
| 10 (CH) | 75.7 |
| 11 (CH) | 26.3 |
| 12 (CH3) | 24.5 |
| 13 (CH3) | 18.2 |
| 14 (CH3) | 26 |
| 15 (CH3) | 21 |
| 10a (C) | 166.1 |
| 10b (C) | 127 |
| 10c (CH) | 138.8 |
| 10d (CH3) | 15.6 |
| 10ba (CH3) | 20.6 |
