(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'-carboxylic acid

(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'-carboxylic acid

Common Name: (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'-carboxylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H40O4/c1-14-7-10-20-25(22-15(2)6-9-18(14)22)34-27(33)30(20)13-29-12-21(30)17(4)23(29)24-19(11-8-16(29)3)28(24,5)26(31)32/h14,16,18-21,24-25H,6-13H2,1-5H3,(H,31,32)/t14-,16-,18?,19-,20-,21-,24-,25-,28-,29-,30-/m0/s1

InChIKey: InChIKey=WOOSTBCYRBAJQN-KWGUCURYSA-N

Formula: C30H40O4

Molecular Weight: 464.637327

Exact Mass: 464.29266

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) 48.4
3 (CH) 54.1
4 (C) 141.6
5 (C) 141.8
6 (CH) 31.6
7 (CH) 33.9
8 (CH2) 23.2
9 (CH2) 31.2
10 (CH) 36.5
11 (C) 30
12 (C) 177.9
13 (CH3) 23.1
14 (CH3) 18.5
15 (CH3) 16.2
1' (CH) 47.4
2' (CH2) 26.9
3' (CH2) 38
4' (C) 132.3
5' (C) 141.5
6' (CH) 77.3
7' (CH) 46.3
8' (CH2) 25.1
9' (CH2) 30.5
10' (CH) 34.7
11' (C) 59.1
12' (C) 181.9
13' (CH2) 32.4
14' (CH3) 16.5
15' (CH3) 14.2