(3Z,4R,5S)-3-(11-Dodecyne-1-ylidene)-4-hydroxy-5-methyltetrahydrofuran-2-one

(3Z,4R,5S)-3-(11-Dodecyne-1-ylidene)-4-hydroxy-5-methyltetrahydrofuran-2-one

Common Name: (3Z,4R,5S)-3-(11-Dodecyne-1-ylidene)-4-hydroxy-5-methyltetrahydrofuran-2-one

Synonyms: (3Z,4R,5S)-3-(11-Dodecyne-1-ylidene)-4-hydroxy-5-methyltetrahydrofuran-2-one

CAS Registry Number:

InChI: InChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h1,13-14,16,18H,4-12H2,2H3/b15-13-/t14-,16-/m0/s1

InChIKey: InChIKey=ZOHSBTYPSYCTIC-MSQWFZJVSA-N

Formula: C17H26O3

Molecular Weight: 278.387185

Exact Mass: 278.188195

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cheng, W., Zhu, C., Xu, W., Fan, X., Yang, Y., Li, Y., Chen, X., Wang, W., Shi, J. J Nat Prod (2009) 72, 2145-52

Species:

Notes: Family : Butanolides; 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) 168.1
2 (C) 128.8
3 (CH) 81.3
4 (CH) 75.6
2a (CH) 149.2
2b (CH2) 27.7
2c (CH2) 27.7
2d (CH2) 27.7
2e (CH2) 27.7
2f (CH2) 27.7
2g (CH2) 27.7
2h (CH2) 27.7
2i (CH2) 27.7
2j (CH2) 18.4
2k (C) 84.8
2l (CH) 68.1
4a (CH3) 19.1