(2E)-2-[3-[(3E,6R)-2-Oxo-6-(1-hydroxy-1-methylethyl)tetrahydro-2H-pyran-3-ylidene]propyl]-5-(3-furyl)-2-pentenoic acid methyl ester

(2E)-2-[3-[(3E,6R)-2-Oxo-6-(1-hydroxy-1-methylethyl)tetrahydro-2H-pyran-3-ylidene]propyl]-5-(3-furyl)-2-pentenoic acid methyl ester

Common Name: (2E)-2-[3-[(3E,6R)-2-Oxo-6-(1-hydroxy-1-methylethyl)tetrahydro-2H-pyran-3-ylidene]propyl]-5-(3-furyl)-2-pentenoic acid methyl ester

Synonyms: (2E)-2-[3-[(3E,6R)-2-Oxo-6-(1-hydroxy-1-methylethyl)tetrahydro-2H-pyran-3-ylidene]propyl]-5-(3-furyl)-2-pentenoic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H28O6/c1-21(2,24)18-11-10-17(20(23)27-18)9-5-8-16(19(22)25-3)7-4-6-15-12-13-26-14-15/h7,9,12-14,18,24H,4-6,8,10-11H2,1-3H3/b16-7+,17-9+/t18-/m1/s1

InChIKey: InChIKey=JZDFXSMOBHIZBC-WKDFDSEUSA-N

Formula: C21H28O6

Molecular Weight: 376.444225

Exact Mass: 376.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hikawczuk, V.E.J., Saad, J.R., Giordano, O.S., Garcia, C., Martin, T., Martin, V.S., Sosa, M.E., Tonn, C.E. J Nat Prod (2008) 71, 190-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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 (CH) 142.7
2 (CH) 110.6
3 (C) 123.5
4 (CH2) 22.4
5 (CH2) 25.1
6 (CH) 142.7
7 (C) 131
8 (CH2) 22.4
9 (CH2) 27.6
10 (CH) 144.7
11 (C) 125.4
12 (CH2) 22.5
13 (CH2) 22.4
14 (CH) 85.4
15 (C) 71.1
16 (CH3) 25.3
17 (CH3) 23.7
18 (C) 167.6
19 (C) 166.2
20 (CH) 138.8
19a (CH3) 51.6