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Punaglandin-5 - acetate
SpectraBase Compound ID Dslx1xW1M2h
InChI InChI=1S/C27H37ClO9/c1-6-7-8-9-10-11-15-27(37-20(4)31)17-22(28)26(33)21(27)16-24(36-19(3)30)23(35-18(2)29)13-12-14-25(32)34-5/h7-8,10-11,17,21,23-24H,6,9,12-16H2,1-5H3/b8-7-,11-10-/t21-,23-,24-,27+/m0/s1
InChIKey FENNCULYSXFRFR-NMJPUUGUSA-N
Mol Weight 541.0 g/mol
Molecular Formula C27H37ClO9
Exact Mass 540.21261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rTmcngYOF9
Name Punaglandin-5 - acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37ClO9
InChI InChI=1S/C27H37ClO9/c1-6-7-8-9-10-11-15-27(37-20(4)31)17-22(28)26(33)21(27)16-24(36-19(3)30)23(35-18(2)29)13-12-14-25(32)34-5/h7-8,10-11,17,21,23-24H,6,9,12-16H2,1-5H3/b8-7-,11-10-/t21-,23-,24-,27+/m0/s1
InChIKey FENNCULYSXFRFR-NMJPUUGUSA-N
Molecular Weight 541.037 g/mol
SMILES [C@]1([C@](C(=O)C(=C1)Cl)(C[C@](OC(=O)C)([C@@](OC(=O)C)(CCCC(=O)OC)[H])[H])[H])(OC(=O)C)C\C=C/C\C=C/CC
SPLASH splash10-0006-9026400000-2aa19b08f3dca0b54ea3
Source of Spectrum X2-57-1352-16
Synonyms (5S,6S)-5,6-diacetyloxy-7-[(1R,2S)-2-acetyloxy-4-chloro-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester Methyl (5S,6S)-5,6-diacetyloxy-7-[(1R,2S)-2-acetyloxy-4-chloro-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate Methyl (5S,6S)-5,6-diacetoxy-7-[(1R,2S)-2-acetoxy-4-chloro-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxo-cyclopent-3-en-1-yl]heptanoate Methyl (5S,6S)-5,6-diacetyloxy-7-[(1R,2S)-2-acetyloxy-4-chloranyl-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoate
Wiley ID 1605674