(4S)-3,4abeta,5beta-Trimethyl-4beta-acetoxy-6alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-4,4a,5,6,7,8-hexahydronaphtho[2,3-b]furan-9(8aalphaH)-one

(4S)-3,4abeta,5beta-Trimethyl-4beta-acetoxy-6alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-4,4a,5,6,7,8-hexahydronaphtho[2,3-b]furan-9(8aalphaH)-one

Common Name: (4S)-3,4abeta,5beta-Trimethyl-4beta-acetoxy-6alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-4,4a,5,6,7,8-hexahydronaphtho[2,3-b]furan-9(8aalphaH)-one

Synonyms: (4S)-3,4abeta,5beta-Trimethyl-4beta-acetoxy-6alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-4,4a,5,6,7,8-hexahydronaphtho[2,3-b]furan-9(8aalphaH)-one

CAS Registry Number:

InChI: InChI=1S/C22H28O6/c1-7-11(2)21(25)28-16-9-8-15-18(24)19-17(12(3)10-26-19)20(27-14(5)23)22(15,6)13(16)4/h7,10,13,15-16,20H,8-9H2,1-6H3/b11-7-/t13-,15-,16+,20+,22+/m0/s1

InChIKey: InChIKey=FNCCUKWBGCFFMU-HMAFTSSZSA-N

Formula: C22H28O6

Molecular Weight: 388.45496

Exact Mass: 388.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Maldonado, J.I., Arciniegas, A., Castorena, A.L.P., Villasenor, J.L., de Vivar, A.R. Heterocycles (2008) 75, 3035-42

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) 19
2 (CH2) 30.8
3 (CH) 73.6
4 (CH) 46.1
5 (C) 50.1
6 (CH) 75.3
7 (C) 134.7
8 (C) 146.5
9 (C) 185.2
10 (CH) 54.4
11 (C) 120.9
12 (CH) 145.4
13 (CH3) 8.5
14 (CH3) 8.9
15 (CH3) 12.1
3a (C) 167.6
3b (C) 127.9
3c (CH) 137.8
3d (CH3) 20.5
3ba (CH3) 15.7
6a (C) 170.8
6b (CH3) 21.5