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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-6-10(2)16(21)24-14-7-15-19(25-15)9-20(23)13(11(3)17(22)26-20)8-18(19,5)12(14)4/h6,12,14-15,23H,7-9H2,1-5H3/b10-6+/t12-,14-,15+,18+,19+,20-/m0/s1

InChIKey: InChIKey=WATSLMNLAKJSBJ-HMPBHZIWSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

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) 60.5
2 (CH2) 42.6
3 (CH) 68.4
4 (CH) 40.3
5 (C) 39.3
6 (CH2) 25.2
7 (C) 157.6
8 (C) 102.7
9 (CH2) 34.9
10 (C) 61.6
11 (C) 124.7
12 (C) 172
13 (CH3) 8.1
14 (CH3) 20.3
15 (CH3) 9.8
3a (C) 167.7
3b (C) 127.6
3c (CH) 139
3d (CH3) 20.6
3e (CH3) 15.9