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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C18H24O5/c1-9-15-14(23-17(9)20)8-12-6-7-13(22-11(3)19)10(2)18(12,4)16(15)21-5/h8,10,13-14,16H,6-7H2,1-5H3/t10-,13-,14+,16+,18+/m0/s1

InChIKey: InChIKey=BJZDFNTVEARZNU-DPNNERCCSA-N

Formula: C18H24O5

Molecular Weight: 320.380849

Exact Mass: 320.162374

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) 26.9
2 (CH2) 31.05
3 (CH) 74.29
4 (CH) 45.67
5 (C) 50.12
6 (CH) 86.76
7 (C) 157.82
8 (CH) 77.54
9 (CH) 118
10 (C) 148.57
11 (C) 120.7
12 (C) 173.8
13 (CH3) 7.91
14 (CH3) 13.9
15 (CH3) 14.64
3a (C) 170.77
3b (CH3) 20.2
6a (CH3) 56.99