(Z)-2-Methyl-2-butenoic acid [(3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-acetoxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

(Z)-2-Methyl-2-butenoic acid [(3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-acetoxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

Common Name: (Z)-2-Methyl-2-butenoic acid [(3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-acetoxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

Synonyms: (Z)-2-Methyl-2-butenoic acid [(3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-acetoxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C22H30O6/c1-7-12(2)19(24)28-22(6)15-10-11-21(5)16(26-14(4)23)9-8-13(3)17(21)18(15)27-20(22)25/h7,15-18H,3,8-11H2,1-2,4-6H3/b12-7-/t15-,16-,17-,18-,21+,22+/m1/s1

InChIKey: InChIKey=NEAIAFLYTVAUET-HCLFBCSZSA-N

Formula: C22H30O6

Molecular Weight: 390.470842

Exact Mass: 390.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Massanet, G.M., Guerra, F.M., Jorge, Z.D., Astorga, C. Phytochemistry (1997) 45, 1645-51

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 80
2 (CH2) 32.6
3 (CH2) 33.8
4 (C) 142.9
5 (CH) 49
6 (CH) 77.3
7 (CH) 48.9
8 (CH2) 20.5
9 (CH2) 34.1
10 (C) 43.5
11 (C) 80
12 (C) 172
13 (CH3) 20.6
14 (CH3) 11.8
15 (CH2) 111.3
1' (C) 166.3
2' (C) 127.4
3' (CH) 140.1
4' (CH3) 15.3
5' (CH3) 18.4
1a (C) 170.6
1b (CH3) 21.1