3(4)α,1(10)α-Diepoxy-5,7α,6β(H)-guai-12,6-olide

3(4)α,1(10)α-Diepoxy-5,7α,6β(H)-guai-12,6-olide

Common Name: 3(4)α,1(10)α-Diepoxy-5,7α,6β(H)-guai-12,6-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-YJLHQPICSA-N

Formula: C15H18O4

Molecular Weight: 262.301592

Exact Mass: 262.120509

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Dzhalmakhanbetova, R.I., Rodichev, M.A., Gatilov, Y.V., Shakirov, M.M., Atazhanova, G.A., Adekenov, S.M. Chem. Nat. Compd. (2009) 45, 503-6

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) 59.46
2 (CH2) 35.1
3 (CH) 60.81
4 (C) 65.19
5 (CH) 53.89
6 (CH) 80.64
7 (CH) 52.42
8 (CH2) 23.47
9 (CH2) 36.98
10 (C) 68.79
11 (C) 138.39
12 (C) 168.9
13 (CH2) 118.93
14 (CH3) 20.35
15 (CH3) 18.39