4-[(1E,3Z,7E)-4-(Acetoxymethyl)-8-methyl-10-(1-hydroxy-2,2,6-trimethylcyclohexyl)-1,3,7-decatrienyl]furan-2(5H)-one

4-[(1E,3Z,7E)-4-(Acetoxymethyl)-8-methyl-10-(1-hydroxy-2,2,6-trimethylcyclohexyl)-1,3,7-decatrienyl]furan-2(5H)-one

Common Name: 4-[(1E,3Z,7E)-4-(Acetoxymethyl)-8-methyl-10-(1-hydroxy-2,2,6-trimethylcyclohexyl)-1,3,7-decatrienyl]furan-2(5H)-one

Synonyms: 4-[(1E,3Z,7E)-4-(Acetoxymethyl)-8-methyl-10-(1-hydroxy-2,2,6-trimethylcyclohexyl)-1,3,7-decatrienyl]furan-2(5H)-one

CAS Registry Number:

InChI: InChI=1S/C27H40O5/c1-20(14-16-27(30)21(2)10-8-15-26(27,4)5)9-6-11-23(18-31-22(3)28)12-7-13-24-17-25(29)32-19-24/h7,9,12-13,17,21,30H,6,8,10-11,14-16,18-19H2,1-5H3/b13-7+,20-9+,23-12-

InChIKey: InChIKey=SVNSVNTWPGFJQB-BXBPZTQHSA-N

Formula: C27H40O5

Molecular Weight: 444.604524

Exact Mass: 444.287574

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - De Rosa, S., Carbonelli, S. Tetrahedron (2006) 62, 2845-9

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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 (C) 173.5
2 (CH) 115.3
3 (C) 161.7
4 (CH) 122.6
5 (CH) 131.9
6 (CH) 128.5
7 (C) 143.5
8 (CH2) 35.8
9 (CH2) 26.4
10 (CH) 122.6
11 (C) 137.4
12 (CH2) 34.7
13 (CH2) 28.8
14 (C) 76.5
15 (CH) 37.5
16 (CH2) 30.9
17 (CH2) 20.3
18 (CH2) 37.5
19 (C) 39.2
20 (CH3) 25
21 (CH3) 23.2
22 (CH3) 16.1
23 (CH3) 16.1
24 (CH2) 61.4
25 (CH2) 70.4
24a (C) 170.5
24b (CH3) 20.9