(2S*,3R*)-methyl 3-hydroxy-2-((Z)-hexadec-7-enyl)-4-oxopentanoate

(2S*,3R*)-methyl 3-hydroxy-2-((Z)-hexadec-7-enyl)-4-oxopentanoate

Common Name: (2S*,3R*)-methyl 3-hydroxy-2-((Z)-hexadec-7-enyl)-4-oxopentanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26-3)21(24)19(2)23/h11-12,20-21,24H,4-10,13-18H2,1-3H3/b12-11-/t20-,21-/m0/s1

InChIKey: InChIKey=RKVXHJRCUIJAHS-UFFGUFBSSA-N

Formula: C22H40O4

Molecular Weight: 368.55144

Exact Mass: 368.29266

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Allouche, N., Apel, C., Martin, M.T., Dumontet, V., Gueritte, F., Litaudon, M. Phytochemistry (2009) 70, 546-53

Species:

Notes: Family : Miscellanea, Type : 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) 173.3
2 (CH) 47.8
3 (CH) 77.4
4 (C) 208.8
5 (CH3) 25.6
1a (CH3) 51.8
2a (CH2) 28.3
2b (CH2) 27.4
2c (CH2) 29
2d (CH2) 29
2e (CH2) 29.7
2f (CH2) 27.2
2g (CH) 129.6
2h (CH) 130
2i (CH2) 27.2
2j (CH2) 29
2k (CH2) 29
2l (CH2) 29
2m (CH2) 29.7
2n (CH2) 31.9
2o (CH2) 22.6
2p (CH3) 14