Methyl (1'S,2'S,3R,3aR,5'S,6S,6'S,6aS,7'S,9bS,10'R)-2',6,6',9,9'-pentamethyl-2-oxo-3a,4,5,6,6a,7,8,9b-octahydrospiro[azuleno[4,5-b]furan-3,11'-tetracyclo[8.2.1.01,8.05,7]tridec[8]ene]-6'-carboxyla te

Methyl (1'S,2'S,3R,3aR,5'S,6S,6'S,6aS,7'S,9bS,10'R)-2',6,6',9,9'-pentamethyl-2-oxo-3a,4,5,6,6a,7,8,9b-octahydrospiro[azuleno[4,5-b]furan-3,11'-tetracyclo[8.2.1.01,8.05,7]tridec[8]ene]-6'-carboxyla te

Common Name: Methyl (1'S,2'S,3R,3aR,5'S,6S,6'S,6aS,7'S,9bS,10'R)-2',6,6',9,9'-pentamethyl-2-oxo-3a,4,5,6,6a,7,8,9b-octahydrospiro[azuleno[4,5-b]furan-3,11'-tetracyclo[8.2.1.01,8.05,7]tridec[8]ene]-6'-carboxyla te

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H42O4/c1-15-8-11-21-26(23-16(2)7-10-19(15)23)35-28(33)31(21)14-30-13-22(31)18(4)24(30)25-20(12-9-17(30)3)29(25,5)27(32)34-6/h15,17,19-22,25-26H,7-14H2,1-6H3/t15-,17-,19?,20-,21-,22-,25-,26-,29-,30-,31-/m0/s1

InChIKey: InChIKey=URJMWWUWXSPWOI-HMPIJBBRSA-N

Formula: C31H42O4

Molecular Weight: 478.663944

Exact Mass: 478.30831

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Catalan, C.A., Del, R.C.M., Hernandez, L.R., Joseph-Nathan, P. J Nat Prod (2003) 66, 949-53

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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) 61.3
2 (CH2) 48.6
3 (CH) 54.1
4 (C) 140.9
5 (C) 141.9
6 (CH) 30.62
7 (CH) 33
8 (CH2) 23.3
9 (CH2) 31.1
10 (CH) 36.5
11 (C) 30.2
12 (C) 172.3
13 (CH3) 23.4
14 (CH3) 18.5
15 (CH3) 16.4
1' (CH) 47.3
2' (CH2) 26.9
3' (CH2) 38
4' (C) 141.4
5' (C) 132.3
6' (CH) 77.3
7' (CH) 46.3
8' (CH2) 25.1
9' (CH2) 30.6
10' (CH) 34.7
11' (C) 59.2
12' (C) 181.9
13' (CH2) 32.8
14' (CH3) 16.5
15' (CH3) 14.2
12a (CH3) 51.2