(1S ,4R,5S ,6R,7R,9S ,10S )-1-Acetoxy-9-trans-cinnamoyloxy-6-hydroxydihydro-β-agarofuran

(1S ,4R,5S ,6R,7R,9S ,10S )-1-Acetoxy-9-trans-cinnamoyloxy-6-hydroxydihydro-β-agarofuran

Common Name: (1S ,4R,5S ,6R,7R,9S ,10S )-1-Acetoxy-9-trans-cinnamoyloxy-6-hydroxydihydro-β-agarofuran

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O6/c1-16-11-13-20(30-17(2)27)25(5)21(15-19-23(29)26(16,25)32-24(19,3)4)31-22(28)14-12-18-9-7-6-8-10-18/h6-10,12,14,16,19-21,23,29H,11,13,15H2,1-5H3/b14-12+/t16-,19-,20+,21+,23-,25+,26-/m1/s1

InChIKey: InChIKey=OQECEDMGMJXABR-HWHZAUSRSA-N

Formula: C26H34O6

Molecular Weight: 442.545549

Exact Mass: 442.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Torres-Romero, D., Muñoz-Martínez, F., Jiménez, I.A., Castanys, S., Gamarro, F., Bazzocchi, I.L. Org Biomol Chem (2009) 7, 5166-72

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) 73.4
2 (CH2) 21.3
3 (CH2) 26.6
4 (CH) 33.4
5 (C) 91
6 (CH) 77.8
7 (CH) 50.5
8 (CH2) 32.1
9 (CH) 73.1
10 (C) 49.7
11 (C) 82.3
12 (CH3) 30.8
13 (CH3) 26
14 (CH3) 18.7
15 (CH3) 17.8
1a (C) 170
1b (CH3) 20.9
9a (C) 165.9
9b (CH) 117.9
9c (CH) 145
9d (C) 133.3
9e (CH) 128
9f (CH) 128.6
9g (CH) 130.1
9h (CH) 128.6
9i (CH) 128