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Austalide A

Properties

Image

Occurences in reactions

MNX_ID

MNXM119521

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

formula

C₂₈H₃₆O₉

charge

mass

516.23593

reference

hmdb:HMDB0030005

InChIKey

JVCNHGXAVMINTN-UHFFFAOYSA-N

InChI

InChI=1S/C28H36O9/c1-14-17-13-33-23(30)20(17)22(31-7)16-11-18-25(5)9-10-27(32-8)36-24(3,4)28(25,37-27)19(34-15(2)29)12-26(18,6)35-21(14)16/h18-19H,9-13H2,1-8H3

SMILES

COc1c2c(c(C)c3c1C(=O)OC3)OC1(C)CC(OC(C)=O)C34OC(OC)(CCC3(C)C1C2)OC4(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0030005	Austalide A 13,20-Dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-2-yl acetic acid 13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-2-yl acetate
hmdb:HMDB30005	secondary/obsolete/fantasy identifier