Common Name: Encelin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1
InChIKey: InChIKey=LXMUZMFQJGRVFW-NDPMZMCLSA-N
Formula: C15H16O3
Molecular Weight: 244.286305
Exact Mass: 244.109944
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Wu, Q.X., Shi, Y.P. Chem Biodivers (2008) 5, 279-89
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)
Position | PPM |
---|---|
1 (CH) | 159.35 |
2 (CH) | 126.6 |
3 (C) | 188.55 |
4 (C) | 144.17 |
5 (CH) | 44.59 |
6 (CH2) | 26.6 |
7 (CH) | 39.42 |
8 (CH) | 76.03 |
9 (CH2) | 37.31 |
10 (C) | 35.98 |
11 (C) | 140.98 |
12 (C) | 169.8 |
13 (CH2) | 121.23 |
14 (CH3) | 19.26 |
15 (CH2) | 119.06 |