3-(angeloyloxy)-1,10-epoxy-8-ethoxy-6-hydroxyeremophil-7(11)-en-8,12 -olide

3-(angeloyloxy)-1,10-epoxy-8-ethoxy-6-hydroxyeremophil-7(11)-en-8,12 -olide

Common Name: 3-(angeloyloxy)-1,10-epoxy-8-ethoxy-6-hydroxyeremophil-7(11)-en-8,12 -olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O7/c1-7-11(3)18(24)27-14-9-15-21(28-15)10-22(26-8-2)16(12(4)19(25)29-22)17(23)20(21,6)13(14)5/h7,13-15,17,23H,8-10H2,1-6H3/b11-7+/t13-,14-,15+,17+,20-,21+,22-/m0/s1

InChIKey: InChIKey=POPWVNXWRXFZFY-XUYOLHHUSA-N

Formula: C22H30O7

Molecular Weight: 406.470247

Exact Mass: 406.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, L., Xu, L.W., Wang, H.Q. Helv Chim Acta (2004) 87, 1125-9

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 (CH) 60.4
2 (CH2) 25
3 (CH) 67.7
4 (CH) 33.5
5 (C) 45.9
6 (CH) 71.3
7 (C) 156
8 (C) 103.7
9 (CH2) 42
10 (C) 60.9
11 (C) 127.2
12 (C) 171.3
13 (CH3) 8.7
14 (CH3) 14.3
15 (CH3) 9.4
3a (C) 167.6
3b (C) 127.6
3c (CH) 139.1
3d (CH3) 20.6
3e (CH3) 15.9
8a (CH2) 58.6
8b (CH3) 15.3