(E)-2-Methyl-4-hydroxy-2-butenoic acid [(3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-2-oxo-3-methylene-6,10-dimethylcyclodeca[b]furan]-4-yl ester

(E)-2-Methyl-4-hydroxy-2-butenoic acid [(3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-2-oxo-3-methylene-6,10-dimethylcyclodeca[b]furan]-4-yl ester

Common Name: (E)-2-Methyl-4-hydroxy-2-butenoic acid [(3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-2-oxo-3-methylene-6,10-dimethylcyclodeca[b]furan]-4-yl ester

Synonyms: (E)-2-Methyl-4-hydroxy-2-butenoic acid [(3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-2-oxo-3-methylene-6,10-dimethylcyclodeca[b]furan]-4-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H26O5/c1-12-6-5-7-13(2)11-17-18(15(4)20(23)25-17)16(10-12)24-19(22)14(3)8-9-21/h6,8,11,16-18,21H,4-5,7,9-10H2,1-3H3/b12-6+,13-11+,14-8+/t16-,17-,18-/m1/s1

InChIKey: InChIKey=QXVGANVELOYXEZ-FSZPOTLFSA-N

Formula: C20H26O5

Molecular Weight: 346.418202

Exact Mass: 346.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - de Hernandez, Z.N.J., Catalan, C.A.N., Hernandez, L.R., Guerra-Ramirez, D., Joseph-Nathan, P. Phytochemistry (1999) 51, 79-82

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) 130.7
2 (CH2) 26.2
3 (CH2) 39.4
4 (C) 142.5
5 (CH) 127.3
6 (CH) 75.8
7 (CH) 52.8
8 (CH) 72.1
9 (CH2) 44
10 (C) 134
11 (C) 136.6
12 (C) 169.7
13 (CH2) 121.3
14 (CH3) 19
15 (CH3) 17.5
8a (C) 166.3
8b (C) 127.6
8c (CH) 141.9
8d (CH2) 59.7
8ba (CH3) 12.9