(1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,12-tetrayl tetraacetate

(1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,12-tetrayl tetraacetate

Common Name: (1S,2S,4S,5R,6S,7S,9R,12R)-6-(Acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,12-tetrayl tetraacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H34O13/c1-11(26)33-10-24-19(35-13(3)28)16(34-12(2)27)9-23(8,32)25(24)20(36-14(4)29)17(22(6,7)38-25)18(31)21(24)37-15(5)30/h16-17,19-21,32H,9-10H2,1-8H3/t16-,17+,19-,20+,21+,23-,24-,25-/m0/s1

InChIKey: InChIKey=CWRZFIYRBDBWBH-XVHYGRDOSA-N

Formula: C25H34O13

Molecular Weight: 542.530647

Exact Mass: 542.199941

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) 74.35
2 (CH) 68.05
3 (CH2) 42.02
4 (C) 69.75
5 (C) 93.21
6 (CH) 74.59
7 (CH) 64.83
8 (C) 197.5
9 (CH) 78.79
10 (C) 52.65
11 (C) 84.81
12 (CH3) 29.22
13 (CH3) 24.56
14 (CH3) 25.17
15 (CH2) 60.54
1a (C) 169.24
1b (CH3) 20.66
2a (C) 169.35
2b (CH3) 21.13
6a (C) 169.14
6b (CH3) 21.35
9a (C) 169.22
9b (CH3) 20.22
15a (C) 169.72
15b (CH3) 20.1