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1alpha-O-Methylquassin

Properties

Image

Occurences in reactions

MNX_ID

MNXM116216

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

formula

C₂₃H₃₂O₆

charge

mass

404.21989

reference

InChIKey

YHEQIRIWAKHQFI-UHFFFAOYSA-N

InChI

InChI=1S/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3

SMILES

COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C34C)C2(C)C1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175241 chebi:175241	1alpha-O-Methylquassin 3,4,15-trimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-11,16-dione
hmdb:HMDB0039558	1alpha-O-Methylquassin 1a-O-Methylquassin 1alpha-O-methylquassin 3,4,15-trimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-4,14-diene-11,16-dione
hmdb:HMDB39558	secondary/obsolete/fantasy identifier