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ajugaciliatin G

Properties

Image

Occurences in reactions

MNX_ID

MNXM102421

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₄H₃₄O₉

charge

mass

466.22028

reference

chebi:69868

InChIKey

ROPQJIBJNYFSAT-ILXDFJSXSA-N

InChI

InChI=1S/C24H34O9/c1-13-7-19(32-15(3)27)24(12-31-14(2)26)21-17(5-6-23(24,29)11-25)33-18(9-22(13,21)4)16-8-20(28)30-10-16/h8,13,17-19,21,25,29H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1

SMILES

CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C)C[C@H](C4=CC(=O)OC4)O[C@H](CC[C@]1(O)CO)[C@H]32

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:69868 chebi:69868	ajugaciliatin G (12R)-6alpha,19-diacetoxy-1beta,12-epoxy-4alpha,18-dihydroxyneo-clerod-13-en-15,16-olide [(2R,3aS,4R,6S,6aR,7R,9aR,9bR)-6-(acetyloxy)-7-hydroxy-7-(hydroxymethyl)-3a,4-dimethyl-2-(5-oxo-2,5-dihydrofuran-3-yl)decahydronaphtho[1,8-bc]pyran-6a(4H)-yl]methyl acetate