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)
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 |