6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8b-methoxyeremophil-7(11)-en-12,8a-olide

6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8b-methoxyeremophil-7(11)-en-12,8a-olide

Common Name: 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8b-methoxyeremophil-7(11)-en-12,8a-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O6/c1-7-12(2)17(22)26-16-15-14(4)18(23)27-21(15,25-6)11-20(24)10-8-9-13(3)19(16,20)5/h12-13,16,24H,7-11H2,1-6H3/t12?,13-,16+,19-,20-,21-/m0/s1

InChIKey: InChIKey=UDVLOCQBYDZUGP-YEKNMDJPSA-N

Formula: C21H32O6

Molecular Weight: 380.475988

Exact Mass: 380.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, X.Q., Gao, K., Jia, Z.J. Planta Med (2003) 69, 356-60

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) 34.2
2 (CH2) 21.6
3 (CH2) 29.6
4 (CH) 33.4
5 (C) 47.5
6 (CH) 71.4
7 (C) 149.5
8 (C) 105.6
9 (CH2) 42.2
10 (C) 73.7
11 (C) 130.7
12 (C) 170.1
13 (CH3) 8.8
14 (CH3) 10.3
15 (CH3) 16.5
6a (C) 175.5
6b (CH) 41.2
6c (CH2) 26.1
6d (CH3) 11.5
6ba (CH3) 16.5
8a (CH3) 50.5