(1R,6alpha)-1alpha-Methyl-4beta-(1-methylene-5-methyl-4-hexenyl)-7-oxabicyclo[4.1.0]heptane-2-one

(1R,6alpha)-1alpha-Methyl-4beta-(1-methylene-5-methyl-4-hexenyl)-7-oxabicyclo[4.1.0]heptane-2-one

Common Name: (1R,6alpha)-1alpha-Methyl-4beta-(1-methylene-5-methyl-4-hexenyl)-7-oxabicyclo[4.1.0]heptane-2-one

Synonyms: (1R,6alpha)-1alpha-Methyl-4beta-(1-methylene-5-methyl-4-hexenyl)-7-oxabicyclo[4.1.0]heptane-2-one

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-10(2)6-5-7-11(3)12-8-13(16)15(4)14(9-12)17-15/h6,12,14H,3,5,7-9H2,1-2,4H3/t12-,14-,15+/m1/s1

InChIKey: InChIKey=ASPDWBKRRVOIEC-YUELXQCFSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yaoita, Y., Suzuki, N., Kikuchi, M. Chem Pharm Bull (2001) 49, 645-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 40.9
2 (C) 208.4
3 (C) 59.4
4 (CH) 64.9
5 (CH2) 29.7
6 (CH) 43.9
7 (C) 150.3
8 (CH2) 33.8
9 (CH2) 26.5
10 (CH) 123.6
11 (C) 132.1
12 (CH3) 17.8
13 (CH3) 25.7
14 (CH2) 109.5
15 (CH3) 14.9