(4S)-3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta-acetoxy-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2-one

(4S)-3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta-acetoxy-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2-one

Common Name: (4S)-3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta-acetoxy-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2-one

Synonyms: (4S)-3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta-acetoxy-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2-one

CAS Registry Number:

InChI: InChI=1S/C18H24O6/c1-9-14-15(22-5)17(4)10(2)13(23-11(3)19)7-6-12(17)8-18(14,21)24-16(9)20/h8,10,13,15,21H,6-7H2,1-5H3/t10-,13-,15+,17+,18+/m0/s1

InChIKey: InChIKey=ADUFGFCEYIJGTE-WSECXUKTSA-N

Formula: C18H24O6

Molecular Weight: 336.380254

Exact Mass: 336.157289

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Wang, W.S., Dai, X., Hong, L.Y., Lu, P., Feng, J.C., Jiao, Y.G. Helv Chim Acta (2008) 91, 1118-23

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) 26.79
2 (CH2) 30.95
3 (CH) 74.29
4 (CH) 45.61
5 (C) 50.29
6 (CH) 85.95
7 (C) 156.75
8 (C) 100.86
9 (CH) 119.86
10 (C) 148.87
11 (C) 122.11
12 (C) 170.97
13 (CH3) 7.47
14 (CH3) 13.82
15 (CH3) 14
3a (C) 169.97
3b (CH3) 20.21
6a (CH3) 56.84