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(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
SpectraBase Compound ID B4nZkJuih48
InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1/i5D2,8D2
InChIKey PXGPLTODNUVGFL-MKIWGZNBSA-N
Mol Weight 358.51 g/mol
Molecular Formula C20H302D4O5
Exact Mass 358.265731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Mea1yRYvBU
Name (Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
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Formula C20H30D4O5
InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1/i5D2,8D2
InChIKey PXGPLTODNUVGFL-MKIWGZNBSA-N
Molecular Weight 358.511 g/mol
SMILES O[C@](\C=C\[C@@]1([C@@](C\C=C/C(C(CC(=O)O)([2D])[2D])([2D])[2D])([C@](C[C@]1(O)[H])(O)[H])[H])[H])(CCCCC)[H]
SPLASH splash10-014i-1391000000-224122c92a00b9ea64fc
Source of Spectrum BS-5-140-0
Synonyms (Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]-3,3,4,4-tetradeuterio-hept-5-enoic acid
Wiley ID 1344643