8b-(2-Methylbutyroyloxy)-8b-10b-Dihydroxy-6b-methoxyeremophilenalide

8b-(2-Methylbutyroyloxy)-8b-10b-Dihydroxy-6b-methoxyeremophilenalide

Common Name: 8b-(2-Methylbutyroyloxy)-8b-10b-Dihydroxy-6b-methoxyeremophilenalide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O7/c1-11(2)9-15(22)27-14-7-8-20(24)10-21(25)16(12(3)18(23)28-21)17(26-6)19(20,5)13(14)4/h11,13-14,17,24-25H,7-10H2,1-6H3/t13-,14-,17+,19-,20-,21-/m0/s1

InChIKey: InChIKey=MHQFZUYDXZMVJH-DRUIWFGXSA-N

Formula: C21H32O7

Molecular Weight: 396.475392

Exact Mass: 396.214803

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhang, S.M., Zhao, G.L., Li, R., Lin, G.Q. Phytochemistry (1998) 48, 519-24

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) 27.5
2 (CH2) 30
3 (CH) 71.8
4 (CH) 36.6
5 (C) 47.5
6 (CH) 79.9
7 (C) 152.9
8 (C) 103.4
9 (CH2) 44.5
10 (C) 74.7
11 (C) 129.8
12 (C) 170.4
13 (CH3) 8.7
14 (CH3) 12.6
15 (CH3) 13
3a (C) 175.9
3b (CH2) 41.8
3c (CH) 26.7
3d (CH3) 11.6
3ca (CH3) 16.8
6a (CH3) 57.96