(2S)-2-[(2R,5E)-5-[3-(3-Furyl)propylidene]tetrahydro-2H-pyran-2-yl]-6-methyl-5-heptene-1,2-diol

(2S)-2-[(2R,5E)-5-[3-(3-Furyl)propylidene]tetrahydro-2H-pyran-2-yl]-6-methyl-5-heptene-1,2-diol

Common Name: (2S)-2-[(2R,5E)-5-[3-(3-Furyl)propylidene]tetrahydro-2H-pyran-2-yl]-6-methyl-5-heptene-1,2-diol

Synonyms: (2S)-2-[(2R,5E)-5-[3-(3-Furyl)propylidene]tetrahydro-2H-pyran-2-yl]-6-methyl-5-heptene-1,2-diol

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-16(2)5-4-11-20(22,15-21)19-9-8-17(14-24-19)6-3-7-18-10-12-23-13-18/h5-6,10,12-13,19,21-22H,3-4,7-9,11,14-15H2,1-2H3/b17-6+/t19-,20+/m1/s1

InChIKey: InChIKey=JRRKNNHWQABOMA-ZKCRXDLMSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

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) 111
3 (C) 124.1
4 (CH2) 24.7
5 (CH2) 27.1
6 (CH) 124.2
7 (C) 139.9
8 (CH2) 25.6
9 (CH2) 33.7
10 (CH) 84
11 (C) 74.2
12 (CH2) 25.4
13 (CH2) 21.5
14 (CH) 124.1
15 (C) 131.9
16 (CH3) 25.6
17 (CH3) 17.6
18 (CH2) 74.7
19 (CH2) 66.4
20 (CH) 138.9