Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate

Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate

Common Name: Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O12/c1-26-9-16(12-4-5-36-11-12)37-24(34)14(26)8-19(39-25-22(32)21(31)20(30)17(10-28)38-25)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-/m0/s1

InChIKey: InChIKey=XUOAZZCHOKUHCF-YMUPWNEFSA-N

Formula: C27H36O12

Molecular Weight: 552.568595

Exact Mass: 552.220677

NMR Solvent: C5D5N

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) 29.3
2 (CH) 63.5
3 (CH) 141.7
4 (C) 138.6
5 (C) 42.3
6 (CH) 79.1
7 (CH2) 27.8
8 (CH) 41.7
9 (C) 37.5
10 (CH) 50.6
11 (CH2) 45.3
12 (CH) 70.2
13 (C) 125.6
14 (CH) 109.6
15 (CH) 144.2
16 (CH) 140.4
17 (C) 175.2
18 (C) 168.3
19 (CH3) 29.3
20 (CH3) 23.6
1' (CH) 106.6
2' (CH) 75.8
3' (CH) 78.6
4' (CH) 71.7
5' (CH) 78
6' (CH2) 62.6
18a (CH3) 51.7