(6E)-3-Methylene-4alpha-(isobutyryloxy)-6,10beta-bis(hydroxymethyl)-3abeta,4,5,8,9,10,11,11aalpha-octahydrocyclodeca[b]furan-2(3H)-one

(6E)-3-Methylene-4alpha-(isobutyryloxy)-6,10beta-bis(hydroxymethyl)-3abeta,4,5,8,9,10,11,11aalpha-octahydrocyclodeca[b]furan-2(3H)-one

Common Name: (6E)-3-Methylene-4alpha-(isobutyryloxy)-6,10beta-bis(hydroxymethyl)-3abeta,4,5,8,9,10,11,11aalpha-octahydrocyclodeca[b]furan-2(3H)-one

Synonyms: (6E)-3-Methylene-4alpha-(isobutyryloxy)-6,10beta-bis(hydroxymethyl)-3abeta,4,5,8,9,10,11,11aalpha-octahydrocyclodeca[b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C19H28O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,11,14-17,20-21H,3-4,6-10H2,1-2H3/b13-5+/t14-,15-,16-,17-/m1/s1

InChIKey: InChIKey=OORQSVWOFUCVCU-RZGVYQARSA-N

Formula: C19H28O6

Molecular Weight: 352.422753

Exact Mass: 352.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xiang, Y., Fan, C.Q., Yue, J.M. Helv Chim Acta (2005) 88, 160-70

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) 131.5
2 (CH2) 26.4
3 (CH2) 30.2
4 (CH) 42
5 (CH2) 40.3
6 (CH) 79.1
7 (CH) 42
8 (CH) 76
9 (CH2) 30.7
10 (C) 133.1
11 (C) 136.7
12 (C) 170
13 (CH2) 123.8
14 (CH2) 67.5
15 (CH2) 67.7
8a (C) 176.5
8b (CH) 34.1
8c (CH3) 18.6
8d (CH3) 18.9