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10,11-Epoxy-chlorovulone I

Properties

Image

Occurences in reactions

MNX_ID

MNXM33034

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

formula

C₂₁H₂₉ClO₅

charge

mass

396.17035

reference

chebi:165255

InChIKey

VQTGQBDTRZNQSB-ZKVKOFCJSA-N

InChI

InChI=1S/C21H29ClO5/c1-3-4-5-6-9-12-15-20(25)16(18(24)21(22)19(20)27-21)13-10-7-8-11-14-17(23)26-2/h7,9-10,12-13,19,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,16-13-/t19-,20-,21+/m0/s1

SMILES

CCCCC/C=C\C[C@]1(O)/C(=C\C=C/CCCC(=O)OC)C(=O)[C@@]2(Cl)O[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:165255 chebi:165255	10,11-Epoxy-chlorovulone I methyl (Z,7E)-7-[(1R,4S,5S)-1-chloro-4-hydroxy-4-[(Z)-oct-2-enyl]-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]hept-5-enoate
lipidmaps:LMFA03120012 lipidmapsM:LMFA03120012	10,11-epoxy-chlorovulone I methyl 9-oxo-10R-chloro-10,11S-epoxy-12S-hydroxy-5Z,7E13Z-prostatrienoate-cyclo[8,12]