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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C21H30O4/c1-6-12(2)9-18(22)25-17-8-7-16-19(23)20-15(13(3)11-24-20)10-21(16,5)14(17)4/h11-12,14,16-17H,6-10H2,1-5H3/t12-,14-,16-,17+,21+/m0/s1

InChIKey: InChIKey=RQNLXNVAPCIJPG-MEMSWLIKSA-N

Formula: C21H30O4

Molecular Weight: 346.461296

Exact Mass: 346.214409

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) 19.3
2 (CH2) 31.1
3 (CH) 73.7
4 (CH) 47.1
5 (C) 43.9
6 (CH2) 35.4
7 (C) 146.6
8 (C) 136.5
9 (C) 186.1
10 (CH) 54.8
11 (C) 121.2
12 (CH) 144.6
13 (CH3) 7.7
14 (CH3) 13.1
15 (CH3) 10.5
3a (C) 172.9
3b (CH2) 41.8
3c (CH) 32
3d (CH2) 29.4
3e (CH3) 11.2
3ca (CH3) 19.2