6b-[2'-Methylbutanoyloxy]-3b-acetoxy-8b,10b-dihydroxyeremophil-7(11)-en-12,8-olide

6b-[2'-Methylbutanoyloxy]-3b-acetoxy-8b,10b-dihydroxyeremophil-7(11)-en-12,8-olide

Common Name: 6b-[2'-Methylbutanoyloxy]-3b-acetoxy-8b,10b-dihydroxyeremophil-7(11)-en-12,8-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O8/c1-7-11(2)18(24)29-17-16-12(3)19(25)30-22(16,27)10-21(26)9-8-15(28-14(5)23)13(4)20(17,21)6/h11,13,15,17,26-27H,7-10H2,1-6H3/t11?,13-,15-,17+,20-,21-,22-/m0/s1

InChIKey: InChIKey=PYWWYMODOVTHRW-WWPQKBRLSA-N

Formula: C22H32O8

Molecular Weight: 424.485533

Exact Mass: 424.209718

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xu, J.Q., Li, Y.S., Li, Y.M., Jiang, S.H., Tan, C.H., Zhu, D.Y. Planta Med (2006) 72, 567-9

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 (CH2) 29.9
2 (CH2) 27.1
3 (CH) 72.6
4 (CH) 36.4
5 (C) 47.2
6 (CH) 70.9
7 (C) 151.4
8 (C) 103.2
9 (CH2) 43.3
10 (C) 74.1
11 (C) 128.9
12 (C) 171.2
13 (CH3) 8.7
14 (CH3) 12.6
15 (CH3) 12.6
3a (C) 170.4
3b (CH3) 21.2
6a (C) 175.6
6b (CH) 41.3
6c (CH2) 26.4
6d (CH3) 11.5
6ba (CH3) 16.1