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7-Acetoxy-7,8-dihydrobromovulone II

Properties

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Occurences in reactions

MNX_ID

MNXM102147

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

formula

C₂₃H₃₃BrO₆

charge

mass

484.14605

reference

chebi:165256

InChIKey

KJIAAYSMTGAUFU-NRPCDHBGSA-N

InChI

InChI=1S/C23H33BrO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10+/t19-,21-,23+/m0/s1

SMILES

CCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)[C@@H]1[C@H](/C=C/CCCC(=O)OC)OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:165256 chebi:165256	7-Acetoxy-7,8-dihydrobromovulone II methyl (E,7S)-7-acetyloxy-7-[(1R,2S)-4-bromo-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
lipidmaps:LMFA03120058 lipidmapsM:LMFA03120058	7-Acetoxy-7,8-dihydrobromovulone II methyl 7S-acetoxy-9-oxo-10-bromo-12S-hydroxy-5E,10Z,13Z-prostatrienoate-cyclo[8R,12]