(4S,5S,6R,8R,9S,10S)-8-hydroxy-9-(angeloyloxy)eremophil-7(11)-en-6,15;8,12-diolide

(4S,5S,6R,8R,9S,10S)-8-hydroxy-9-(angeloyloxy)eremophil-7(11)-en-6,15;8,12-diolide

Common Name: (4S,5S,6R,8R,9S,10S)-8-hydroxy-9-(angeloyloxy)eremophil-7(11)-en-6,15;8,12-diolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O7/c1-5-9(2)16(21)25-14-11-7-6-8-12-18(23)26-15(19(11,12)4)13-10(3)17(22)27-20(13,14)24/h5,11-12,14-15,24H,6-8H2,1-4H3/b9-5-/t11-,12-,14+,15+,19+,20-/m1/s1

InChIKey: InChIKey=FGRQUOULKIBUBJ-ZYKSOYDCSA-N

Formula: C20H24O7

Molecular Weight: 376.401131

Exact Mass: 376.152203

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xu, Y.J., Nan, Z.D., Li, W.H., Huang, H.L., Yuan, C.S. Helv Chim Acta (2009) 92, 209-16

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 (CH2) 22.2
2 (CH2) 22.2
3 (CH2) 18.5
4 (CH) 42.6
5 (C) 44.1
6 (CH) 82.8
7 (C) 150.4
8 (C) 103
9 (CH) 73.6
10 (CH) 38
11 (C) 129
12 (C) 171.5
13 (CH3) 8.9
14 (CH3) 20.6
15 (C) 176
9a (C) 166
9b (C) 125.9
9c (CH) 142.5
9d (CH3) 16
9ba (CH3) 20.6