6β-(2′-methylbutanoyloxy)-3β-acetoxy-10β-hydroxy-8α-methoxyeremophil-7(11)-en-8β,12-olide

6β-(2′-methylbutanoyloxy)-3β-acetoxy-10β-hydroxy-8α-methoxyeremophil-7(11)-en-8β,12-olide

Common Name: 6β-(2′-methylbutanoyloxy)-3β-acetoxy-10β-hydroxy-8α-methoxyeremophil-7(11)-en-8β,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H34O8/c1-8-12(2)19(25)30-18-17-13(3)20(26)31-23(17,28-7)11-22(27)10-9-16(29-15(5)24)14(4)21(18,22)6/h12,14,16,18,27H,8-11H2,1-7H3/t12?,14-,16-,18+,21-,22-,23+/m0/s1

InChIKey: InChIKey=QFTDXRSJZLFVJI-XHAASIFRSA-N

Formula: C23H34O8

Molecular Weight: 438.512151

Exact Mass: 438.225368

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, W.X., Lei, M., Fei, D.Q., Gao, K. Planta Med (2009) 75, 635-40

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) 34.3
2 (CH2) 21.4
3 (CH) 71.1
4 (CH) 35.1
5 (C) 49.5
6 (CH) 71.1
7 (C) 153.9
8 (C) 104
9 (CH2) 47.9
10 (C) 72.8
11 (C) 126.7
12 (C) 170.8
13 (CH3) 8.5
14 (CH3) 14
15 (CH3) 9.6
3a (C) 169.9
3b (CH3) 21.2
6a (C) 175.5
6b (CH) 40.8
6c (CH2) 25.8
6d (CH3) 11.6
6ba (CH3) 16.2
8a (CH3) 50.5