Spektraris NMR
8β-hydroxy-eremophil-3,7 (11)-dien-12,8α(14,6α)-diolide
Common Name: 8β-hydroxy-eremophil-3,7 (11)-dien-12,8α(14,6α)-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O5/c1-7-10-11-14(2)8(6-15(10,18)20-12(7)16)4-3-5-9(14)13(17)19-11/h5,8,11,18H,3-4,6H2,1-2H3/t8-,11+,14+,15+/m1/s1
InChIKey: InChIKey=CNACNPCNCNCMOI-BXLXJPJESA-N
Formula: C15H16O5
Molecular Weight: 276.285115
Exact Mass: 276.099774
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Shi, S.Y., Wu, D.Y., Gong, X., Peng, H., Zhang, R.P., Zhiu, C.X., Hao, X.J., Jia, Z.J. Chin Chem Lett (2007) 18, 59-61
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 22.1 |
| 2 (CH2) | 22.3 |
| 3 (CH) | 137.7 |
| 4 (C) | 130.5 |
| 5 (C) | 44.6 |
| 6 (CH) | 82.8 |
| 7 (C) | 155.3 |
| 8 (C) | 103.6 |
| 9 (CH2) | 37.2 |
| 10 (CH) | 34.4 |
| 11 (C) | 126.1 |
| 12 (C) | 169 |
| 13 (CH3) | 8.9 |
| 14 (CH3) | 26.9 |
| 15 (C) | 171.2 |
