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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H28O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,6,15-18,21-22H,3,5,7-11H2,1-2H3/b12-4-,14-6+/t15-,16-,17-,18-/m1/s1

InChIKey: InChIKey=CJWRQPZAYLIOEX-IUIQHRCWSA-N

Formula: C20H28O6

Molecular Weight: 364.433489

Exact Mass: 364.188589

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) 26.5
3 (CH2) 30.4
4 (CH) 42.3
5 (CH2) 40.5
6 (CH) 79.3
7 (CH) 47.8
8 (CH) 76.3
9 (CH2) 31
10 (C) 133.5
11 (C) 136.9
12 (C) 170
13 (CH2) 123.8
14 (CH2) 67.7
15 (CH2) 67.9
8a (C) 167.1
8b (C) 127.3
8c (CH) 139.9
8d (CH3) 15.8
8ba (CH3) 20.3