(1R,4S,5S,6R,8S,10R)-1-acetoxy-8β-hydroxyeremophil-7(11)-en-6,15;8,12-diolide

(1R,4S,5S,6R,8S,10R)-1-acetoxy-8β-hydroxyeremophil-7(11)-en-6,15;8,12-diolide

Common Name: (1R,4S,5S,6R,8S,10R)-1-acetoxy-8β-hydroxyeremophil-7(11)-en-6,15;8,12-diolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H20O7/c1-7-12-13-16(3)9(15(20)23-13)4-5-11(22-8(2)18)10(16)6-17(12,21)24-14(7)19/h9-11,13,21H,4-6H2,1-3H3/t9-,10+,11-,13+,16-,17+/m1/s1

InChIKey: InChIKey=LRQZOMZNYZRPAR-NCCYPTPYSA-N

Formula: C17H20O7

Molecular Weight: 336.33716

Exact Mass: 336.120903

NMR Solvent: CD3COCD3

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 (CH) 72.1
2 (CH2) 27.4
3 (CH2) 16.6
4 (CH) 41
5 (C) 44.3
6 (CH) 83.4
7 (C) 153
8 (C) 103.5
9 (CH2) 36.2
10 (CH) 41.4
11 (C) 127.3
12 (C) 171.3
13 (CH3) 8.9
14 (CH3) 21
15 (C) 175.2
1a (C) 170.2
1b (CH3) 21.3