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Bakkenolide C

Properties

Image

Occurences in reactions

MNX_ID

MNXM119610

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

formula

C₂₀H₂₈O₅

charge

mass

348.19367

reference

InChIKey

KVPXGWXTEOVUGO-IZZDOVSWSA-N

InChI

InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6+

SMILES

C=C1COC(=O)C12CC1(C)C(C)CCC(OC(=O)/C(C)=C/C)C1C2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0034999	Bakkenolide C 3-Hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolane]-4-yl (2E)-2-methylbut-2-enoic acid 3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1H-spiro[indene-2,3'-oxolane]-4-yl (2E)-2-methylbut-2-enoate 3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolane]-4-yl (2E)-2-methylbut-2-enoate
hmdb:HMDB34999	secondary/obsolete/fantasy identifier