(4S)-3-Methylene-4-(3-oxobutyl)-5beta-[(1R)-2-methyl-2beta-hydroxy-5-oxo-3-cyclopentene-1-yl]-4,5-dihydrofuran-2(3H)-one

(4S)-3-Methylene-4-(3-oxobutyl)-5beta-[(1R)-2-methyl-2beta-hydroxy-5-oxo-3-cyclopentene-1-yl]-4,5-dihydrofuran-2(3H)-one

Common Name: (4S)-3-Methylene-4-(3-oxobutyl)-5beta-[(1R)-2-methyl-2beta-hydroxy-5-oxo-3-cyclopentene-1-yl]-4,5-dihydrofuran-2(3H)-one

Synonyms: (4S)-3-Methylene-4-(3-oxobutyl)-5beta-[(1R)-2-methyl-2beta-hydroxy-5-oxo-3-cyclopentene-1-yl]-4,5-dihydrofuran-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C15H18O5/c1-8(16)4-5-10-9(2)14(18)20-13(10)12-11(17)6-7-15(12,3)19/h6-7,10,12-13,19H,2,4-5H2,1,3H3/t10-,12+,13-,15-/m0/s1

InChIKey: InChIKey=RTOGTHJTQOMSQZ-QJZXMWHDSA-N

Formula: C15H18O5

Molecular Weight: 278.300997

Exact Mass: 278.115424

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kawazoe, K., Tsubouchi, Y., Abdullah, N., Takaishi, Y., Shibata, H., Higuti, T., Hori, H., Ogawa, M. J Nat Prod (2003) 66, 538-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) 203.4
2 (CH) 132.5
3 (CH) 166.3
4 (C) 78.6
5 (CH) 59.9
6 (CH) 78.7
7 (CH) 41.6
8 (CH2) 26.3
9 (CH2) 40
10 (C) 208.2
11 (C) 169.9
12 (C) 138.4
13 (CH2) 122.2
14 (CH3) 30.2
15 (CH3) 24.5