(1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-4-propanoic acid

(1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-4-propanoic acid

Common Name: (1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-4-propanoic acid

Synonyms: (1S)-1alpha,2alpha-(Carbonylbisoxy)-3,4aalpha,8,8-tetramethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-4-propanoic acid

CAS Registry Number:

InChI: InChI=1S/C18H26O5/c1-10-11(6-7-12(19)20)18(4)9-5-8-17(2,3)15(18)14-13(10)22-16(21)23-14/h13-15H,5-9H2,1-4H3,(H,19,20)/t13-,14-,15+,18-/m1/s1

InChIKey: InChIKey=PNSCPVRHQCDAIG-ZXFNITATSA-N

Formula: C18H26O5

Molecular Weight: 322.39673

Exact Mass: 322.178024

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) 38.7
2 (CH2) 18.8
3 (CH2) 42.7
4 (C) 34.2
5 (CH) 51.9
6 (CH) 75.1
7 (CH) 78.8
8 (C) 122.5
9 (C) 148
10 (C) 39.1
11 (CH2) 23
12 (CH2) 33.7
13 (C) 180.6
17 (CH3) 16.4
18 (CH3) 33
19 (CH3) 23.7
20 (CH3) 22.5
7a (C) 155.3