Spektraris NMR
Pterodontriol E
Common Name: Pterodontriol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H28O3/c1-13(2,17)10-5-7-14(3)8-6-12(16)15(4,18)11(14)9-10/h10-12,16-18H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1
InChIKey: InChIKey=MIELSHSRDNXCSQ-CWFCOSEVSA-N
Formula: C15H28O3
Molecular Weight: 256.381594
Exact Mass: 256.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, Y.B., Jia, W., Gao, W.Y., Zhao, A.H., Zhang, Y.W., Takaishi, Y., Duan, H.Q. J Asian Nat Prod Res (2006) 8, 303-7
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) | 39.7 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79.9 |
| 4 (C) | 76.5 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 20.4 |
| 7 (CH) | 41.3 |
| 8 (CH2) | 21.3 |
| 9 (CH2) | 41.3 |
| 10 (C) | 34.3 |
| 11 (C) | 74.9 |
| 12 (CH3) | 29.6 |
| 13 (CH3) | 30 |
| 14 (CH3) | 18.8 |
| 15 (CH3) | 15.7 |
