(1R,2S,4R,5R,9S)-4,5-Epoxy-13-norcaryophyllan-8-one

(1R,2S,4R,5R,9S)-4,5-Epoxy-13-norcaryophyllan-8-one

Common Name: (1R,2S,4R,5R,9S)-4,5-Epoxy-13-norcaryophyllan-8-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C14H22O3/c1-13(2)6-8-9(15)4-5-11-14(3,17-11)7-10(16)12(8)13/h8,10-12,16H,4-7H2,1-3H3/t8-,10-,11-,12+,14-/m1/s1

InChIKey: InChIKey=LPQILJLNNPWGIC-OXCOJHJTSA-N

Formula: C14H22O3

Molecular Weight: 238.323214

Exact Mass: 238.156895

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Choudhary, M.I., Siddiqui, Z.A., Nawaz, S.A., Atta ur, R. J Nat Prod (2006) 69, 1429-34

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) 54.9
2 (CH) 71
3 (CH2) 49
4 (C) 56.5
5 (CH) 61.9
6 (CH2) 36.5
7 (CH2) 38.5
8 (C) 213.5
9 (CH) 47
10 (CH2) 31
11 (C) 35.5
12 (CH3) 23
13 (CH3) 31.5
14 (CH3) 17.5