(3β,6β,10α)-3-acetyl-6,10-dihydroxyeremophila-7(11),8-dieno-12,8-lactone

(3β,6β,10α)-3-acetyl-6,10-dihydroxyeremophila-7(11),8-dieno-12,8-lactone

Common Name: (3β,6β,10α)-3-acetyl-6,10-dihydroxyeremophila-7(11),8-dieno-12,8-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H22O6/c1-8-13-12(23-15(8)20)7-17(21)6-5-11(22-10(3)18)9(2)16(17,4)14(13)19/h7,9,11,14,19,21H,5-6H2,1-4H3/t9-,11-,14+,16-,17+/m0/s1

InChIKey: InChIKey=QLBGTECONHIYJH-MSKJKSDOSA-N

Formula: C17H22O6

Molecular Weight: 322.353636

Exact Mass: 322.141638

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Deng, M., Dong, W., Jiao, W., Lu, R. Helv Chim Acta (2009) 92, 495-501

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) 35.5
2 (CH2) 21
3 (CH) 71.7
4 (CH) 34.8
5 (C) 51.1
6 (CH) 68.3
7 (C) 150.4
8 (C) 146.1
9 (CH) 115.1
10 (C) 73.2
11 (C) 122.7
12 (C) 171.4
13 (CH3) 8.6
14 (CH3) 14.4
15 (CH3) 10.3
3a (C) 170.3
3b (CH3) 21.6