Encelin

Encelin

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)

Carbon NMR Peaks

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