3α-Hydroxy-11-peroxyl-eremophila-6,9-dien-8-one

3α-Hydroxy-11-peroxyl-eremophila-6,9-dien-8-one

Common Name: 3α-Hydroxy-11-peroxyl-eremophila-6,9-dien-8-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O4/c1-9-12(16)6-5-10-7-13(17)11(8-15(9,10)4)14(2,3)19-18/h7-9,12,16,18H,5-6H2,1-4H3/t9-,12+,15+/m0/s1

InChIKey: InChIKey=NDYANQJXXAKPBS-TURKWSHLSA-N

Formula: C15H22O4

Molecular Weight: 266.333355

Exact Mass: 266.151809

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, Z.L., Liu, Q., Tian, X. Bull Korean Chem Soc (2007) 28, 292-4

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) 30.2
2 (CH2) 36.3
3 (CH) 71.1
4 (CH) 47.3
5 (C) 42.9
6 (CH) 150.9
7 (C) 138.7
8 (C) 185.7
9 (CH) 125.3
10 (C) 165.7
11 (C) 83.4
12 (CH3) 24.4
13 (CH3) 24.7
14 (CH3) 18.5
15 (CH3) 11.8