(1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene

(1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene

Common Name: (1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene

Synonyms: (1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene

CAS Registry Number:

InChI: InChI=1S/C21H28O5/c1-12-14(7-6-13-10-15(22)24-11-13)21(4)9-5-8-20(2,3)18(21)17-16(12)25-19(23)26-17/h10,16-18H,5-9,11H2,1-4H3/t16-,17-,18+,21-/m1/s1

InChIKey: InChIKey=SFYOHOSSSYBFMD-DCXXXQMHSA-N

Formula: C21H28O5

Molecular Weight: 360.44482

Exact Mass: 360.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 10860-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) 38.9
2 (CH2) 18.8
3 (CH2) 42.6
4 (C) 34.3
5 (CH) 51.9
6 (CH) 75
7 (CH) 78.6
8 (C) 122.8
9 (C) 147.8
10 (C) 39.1
11 (CH2) 25.5
12 (CH2) 28.7
13 (C) 169.3
14 (CH) 115.7
15 (C) 173.8
16 (CH2) 73
17 (CH3) 16.6
18 (CH3) 33
19 (CH3) 23.7
20 (CH3) 22.7
7a (C) 155.2