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7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene

Properties

Image

Occurences in reactions

MNX_ID

MNXM118590

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

formula

C₂₈H₃₂O₈

charge

mass

496.20972

reference

hmdb:HMDB0036033

InChIKey

VIZDPIMTQWFZEF-VURMDHGXSA-N

InChI

InChI=1S/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6-

SMILES

CC(=O)OC1CC2C(C/C=C\C(=O)OC2(C)C)C2=CCC3(C)C(c4ccoc4)OC(=O)C4OC43C21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036033	7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene (4Z)-18-(Furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.0²,⁹.0¹³,¹⁵.0¹³,¹⁹]henicosa-1(21),4-dien-11-yl acetic acid (4Z)-18-(furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.0²,⁹.0¹³,¹⁵.0¹³,¹⁹]henicosa-1(21),4-dien-11-yl acetate 7a-1(10->19)-abeo-7-acetoxyobacun-9(11)-ene 7alpha-1(10->19)-abeo-7-acetoxyobacun-9(11)-ene
hmdb:HMDB36033	secondary/obsolete/fantasy identifier