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(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid methyl ester
SpectraBase Compound ID web5S8VZ6H
InChI InChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,20+/m0/s1
InChIKey WGCXTGBZBFBQPP-ZYONDNFOSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89BeHMNuKP9
Name (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid methyl ester
Alternate Name(s) (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester Methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate Methyl (Z)-7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate Pge2 methyl ester BRN 2951095
CAS Registry Number 31753-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,20+/m0/s1
InChIKey WGCXTGBZBFBQPP-ZYONDNFOSA-N
Molecular Weight 366.498 g/mol
SMILES O[C@@]1(CC([C@@]([C@]1(\C=C\[C@@](O)(CCCCC)[H])[H])(C\C=C/CCCC(=O)OC)[H])=O)[H]
SPLASH splash10-0a4i-5972000000-a0d3b9f9fbc63c85431a
Source of Spectrum KO-3-7-2
Wiley ID 1352067