5aH-1a,10a:3a,4a-diepoxyguaia-11(13)-en-6a,12-olide

5aH-1a,10a:3a,4a-diepoxyguaia-11(13)-en-6a,12-olide

Common Name: 5aH-1a,10a:3a,4a-diepoxyguaia-11(13)-en-6a,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H18O4/c1-7-8-4-5-13(2)15(19-13)6-9-14(3,18-9)11(15)10(8)17-12(7)16/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-,11-,13+,14+,15-/m0/s1

InChIKey: InChIKey=DQRKUDIDIYSHPH-RDCRAMSYSA-N

Formula: C15H18O4

Molecular Weight: 262.301592

Exact Mass: 262.120509

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hilmi, F., Sticher, O., Heilmann, J. Planta Med (2003) 69, 462-4

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) 71
2 (CH2) 36.2
3 (CH) 62.7
4 (C) 66.9
5 (CH) 55.2
6 (CH) 82.2
7 (CH) 53.6
8 (CH2) 24.3
9 (CH2) 38.1
10 (C) 61.7
11 (C) 140.7
12 (C) 171.3
13 (CH2) 119.2
14 (CH3) 20.7
15 (CH3) 18.9