Methyl (1S,2R,5R,7S,8S,9R)-8-[2-(3-furyl)-2-(β-D-glucopyranosyloxy)ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate

Methyl (1S,2R,5R,7S,8S,9R)-8-[2-(3-furyl)-2-(β-D-glucopyranosyloxy)ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate

Common Name: Methyl (1S,2R,5R,7S,8S,9R)-8-[2-(3-furyl)-2-(β-D-glucopyranosyloxy)ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O12/c1-26(9-16(12-4-5-36-11-12)37-25-22(32)21(31)20(30)17(10-28)38-25)14-8-19(39-24(14)34)27(2)15(23(33)35-3)6-13(29)7-18(26)27/h4-6,11,13-14,16-22,25,28-32H,7-10H2,1-3H3/t13-,14-,16?,17+,18-,19-,20+,21-,22+,25+,26-,27-/m1/s1

InChIKey: InChIKey=GMZIBNWBLDPKAJ-GBALMPINSA-N

Formula: C27H36O12

Molecular Weight: 552.568595

Exact Mass: 552.220677

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Martin, T.S., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1996) 42, 153-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) 28.7
2 (CH) 62.9
3 (CH) 143.3
4 (C) 134.4
5 (C) 38.5
6 (CH) 81.9
7 (CH2) 27.6
8 (CH) 48.7
9 (C) 38.9
10 (CH) 45.5
11 (CH2) 46.4
12 (CH) 68
13 (C) 127.2
14 (CH) 109.5
15 (CH) 143.6
16 (CH) 139.8
17 (C) 177.5
18 (C) 166.6
19 (CH3) 26.8
20 (CH3) 22.1
1' (CH) 99.9
2' (CH) 73.8
3' (CH) 76.8
4' (CH) 70.5
5' (CH) 76.8
6' (CH2) 61.5
18a (CH3) 52