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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O7/c1-7-11(2)19(24)29-18-17-12(3)20(25)28-16(17)10-22(26)9-8-15(27-14(5)23)13(4)21(18,22)6/h11,13,15-16,18,26H,7-10H2,1-6H3/t11?,13-,15-,16+,18+,21-,22-/m0/s1

InChIKey: InChIKey=NQUDNNNRNDPWFZ-PUZWCBDHSA-N

Formula: C22H32O7

Molecular Weight: 408.486128

Exact Mass: 408.214803

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) 71.2
4 (CH) 35.2
5 (C) 48.8
6 (CH) 71.1
7 (C) 157.7
8 (CH) 75.3
9 (CH2) 44.2
10 (C) 72.7
11 (C) 123.1
12 (C) 174.5
13 (CH3) 8.7
14 (CH3) 14.4
15 (CH3) 9.4
3a (C) 170.1
3b (CH3) 21.1
6a (C) 176.7
6b (CH) 41
6c (CH2) 25.9
6d (CH3) 11.7
6ba (CH3) 16.6