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

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

Synonyms: (4S)-3,4abeta,5beta-Trimethyl-4beta-acetoxy-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/C23H32O6/c1-7-12(2)10-18(25)29-17-9-8-16-20(26)21-19(13(3)11-27-21)22(28-15(5)24)23(16,6)14(17)4/h11-12,14,16-17,22H,7-10H2,1-6H3/t12-,14-,16-,17+,22+,23+/m0/s1

InChIKey: InChIKey=BHFBPDQHVUVZJC-CSUZYYKASA-N

Formula: C23H32O6

Molecular Weight: 404.497459

Exact Mass: 404.219889

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) 18.9
2 (CH2) 30.6
3 (CH) 73.7
4 (CH) 45.9
5 (C) 50
6 (CH) 75.3
7 (C) 146.5
8 (C) 134.7
9 (C) 185.2
10 (CH) 54.3
11 (C) 120.8
12 (CH) 145.4
13 (CH3) 8.5
14 (CH3) 9
15 (CH3) 12
3a (C) 172.9
3b (CH2) 41.8
3c (CH) 32
3d (CH2) 29.4
3e (CH3) 11.2
3ca (CH3) 19.2
6a (C) 170.8
6b (CH3) 21.5