1α-Tigloyloxy-8βH,10βH-eremophil-7(11)-en-8α,12-olide

1α-Tigloyloxy-8βH,10βH-eremophil-7(11)-en-8α,12-olide

Common Name: 1α-Tigloyloxy-8βH,10βH-eremophil-7(11)-en-8α,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-6-11(2)18(21)23-16-8-7-12(3)20(5)10-14-13(4)19(22)24-17(14)9-15(16)20/h6,12,15-17H,7-10H2,1-5H3/b11-6+/t12-,15-,16-,17-,20+/m0/s1

InChIKey: InChIKey=FKNIRWOLOYSZSG-MOCNJREGSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Reina, M., Gonzalez-Coloma, A., Dominguez-Diaz, D., Cabrera, R., Gimenez Marino, C., Rodriguez, M.L., Villarroel, L. Nat Prod Res (2006) 20, 13-9

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) 70.4
2 (CH2) 25.9
3 (CH2) 29.1
4 (CH) 29.3
5 (C) 41
6 (CH2) 36.7
7 (C) 160.2
8 (CH) 79.8
9 (CH2) 29.2
10 (CH) 43.7
11 (C) 121.1
12 (C) 174.6
13 (CH3) 8.2
14 (CH3) 21.5
15 (CH3) 15.2
1a (C) 167.3
1b (C) 128.7
1c (CH) 137.5
1d (CH3) 12
1ba (CH3) 14.4