8-Acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide

8-Acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide

Common Name: 8-Acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C18H24O6/c1-8-6-11(22-5)15-13(8)16-14(9(2)17(20)24-16)12(23-10(3)19)7-18(15,4)21/h6,11-16,21H,2,7H2,1,3-5H3/t11-,12-,13-,14+,15+,16+,18+/m0/s1

InChIKey: InChIKey=INKIXUROUCXRIZ-PWVRYXRQSA-N

Formula: C18H24O6

Molecular Weight: 336.380254

Exact Mass: 336.157289

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lee, J.R., Yang, M.S., Lee, J., Hwang, S.W., Kho, Y.H., Park, K.H. Planta Med (2003) 69, 880-2

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 (CH) 58.7
2 (CH) 85.7
3 (CH) 126.7
4 (C) 146.9
5 (CH) 53.8
6 (CH) 81.3
7 (CH) 47
8 (CH) 72.8
9 (CH2) 43.4
10 (C) 72.6
11 (C) 137.5
12 (C) 169.2
13 (CH2) 122.3
14 (CH3) 31.7
15 (CH3) 17.9
2a (CH3) 56
8a (C) 170.1
8b (CH3) 21.3