(1S,2S,3S,4R,5R,6S,7S,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,12-pentayl pentaacetate

(1S,2S,3S,4R,5R,6S,7S,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,12-pentayl pentaacetate

Common Name: (1S,2S,3S,4R,5R,6S,7S,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,12-pentayl pentaacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H38O17/c1-12(30)39-10-26(8)19-20(37)23(43-16(5)34)28(11-40-13(2)31)25(45-18(7)36)21(41-14(3)32)24(44-17(6)35)27(9,38)29(28,46-26)22(19)42-15(4)33/h19,21-25,38H,10-11H2,1-9H3/t19-,21+,22-,23-,24+,25+,26+,27+,28-,29+/m1/s1

InChIKey: InChIKey=DHCMTBDUPZLEEZ-AUMCHQGJSA-N

Formula: C29H38O17

Molecular Weight: 658.602973

Exact Mass: 658.2109

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nunez M.J., Cortes-Selva F., Bazzocchi I.L., Jimenez I.A., Gonzalez A.G., Ravelo A.G., Gavin J.A. J Nat Prod (2003) 66, 572-4

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) 71.58
2 (CH) 68.77
3 (CH) 75.11
4 (C) 69.37
5 (C) 94.44
6 (CH) 73.72
7 (CH) 62.24
8 (C) 196.32
9 (CH) 78.44
10 (C) 52.16
11 (C) 86.13
12 (CH3) 69.62
13 (CH2) 18.67
14 (CH3) 24.01
15 (CH2) 60.28
1a (C) 168.68
1b (CH3) 20.5
2a (C) 167.97
2b (CH3) 20.94
3a (C) 168.91
3b (CH3) 20.75
6a (C) 168.8
6b (CH3) 21.24
9a (C) 168.72
9b (CH3) 20.78
13a (C) 170.34
13b (CH3) 20.15
15a (C) 169.11
15b (CH3) 20.42