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(E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-cyclopenten-1-yl]hept-5-enoic acid methyl ester
SpectraBase Compound ID 227FPpUUlGX
InChI InChI=1S/C21H32O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h5,8,13,15,18,22H,3-4,6-7,9-12,14,16H2,1-2H3/b8-5+,15-13+
InChIKey NRVBCMCVYOLSIM-OYAMYSJUSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15AtfljKElL
Name (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-cyclopenten-1-yl]hept-5-enoic acid methyl ester
Alternate Name(s) (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]-5-heptenoic acid methyl ester Methyl (5E,13E)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oate Methyl (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopenten-1-yl]hept-5-enoate Methyl (E)-7-[5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]hept-5-enoate Prosta-5,8(12),13-trien-1-oic acid, 15-hydroxy-9-oxo-, methyl ester, (5Z,13E,15S)-
CAS Registry Number 55760-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h5,8,13,15,18,22H,3-4,6-7,9-12,14,16H2,1-2H3/b8-5+,15-13+
InChIKey NRVBCMCVYOLSIM-OYAMYSJUSA-N
Molecular Weight 348.483 g/mol
SMILES OC(\C=C\C1=C(C(CC1)=O)C\C=C\CCCC(=O)OC)CCCCC
SPLASH splash10-06dm-9650000000-0ffba474641fcb1cb10b
Source of Spectrum B3-0-241-1
Wiley ID 1340845