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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H32O12/c1-10(24)31-9-22-18(33-12(3)26)14(32-11(2)25)8-21(7,30)23(22)17(29)15(20(5,6)35-23)16(28)19(22)34-13(4)27/h14-15,17-19,29-30H,8-9H2,1-7H3/t14-,15+,17+,18-,19+,21-,22-,23-/m0/s1

InChIKey: InChIKey=YKMBUOCGIIAMJY-CQDPYAFZSA-N

Formula: C23H32O12

Molecular Weight: 500.493889

Exact Mass: 500.189376

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) 74.4
2 (CH) 67.75
3 (CH2) 41.11
4 (C) 72.24
5 (C) 92.5
6 (CH) 76.27
7 (CH) 66.41
8 (C) 199.12
9 (CH) 78.8
10 (C) 52.12
11 (C) 84.9
12 (CH3) 29.75
13 (CH3) 25.24
14 (CH3) 24.7
15 (CH2) 60.22
1a (C) 169.36
1b (CH3) 20.5
2a (C) 169.25
2b (CH3) 21.1
9a (C) 169.2
9b (CH3) 20.12
15a (C) 169.72
15b (CH3) 20.62