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Prosta-5,13-dien-1-oic acid, 9-(acetylthio)-11,15-dihydroxy-, methyl ester, (5Z,9.alpha.,11.alpha.,13E,15S)-
SpectraBase Compound ID 1YvURjILlAh
InChI InChI=1S/C23H38O5S/c1-4-5-8-11-18(25)14-15-19-20(22(16-21(19)26)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21+,22-/m0/s1
InChIKey SPVPGHLJUXYNGB-GFIONDOKSA-N
Mol Weight 426.6 g/mol
Molecular Formula C23H38O5S
Exact Mass 426.243995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ir3f8fLPlGV
Name Prosta-5,13-dien-1-oic acid, 9-(acetylthio)-11,15-dihydroxy-, methyl ester, (5Z,9.alpha.,11.alpha.,13E,15S)-
Alternate Name(s) Methyl (5Z,9.alpha.,11.alpha.,13E,15S)-9-(acetylthio)-11,15-dihydroxyprosta-5,13-dien-1-oate Methyl (5Z,9beta,11beta,13E,15S)-9-(acetylsulfanyl)-11,15-dihydroxyprosta-5,13-dien-1-oate
CAS Registry Number 64868-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5S
InChI InChI=1S/C23H38O5S/c1-4-5-8-11-18(25)14-15-19-20(22(16-21(19)26)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21+,22-/m0/s1
InChIKey SPVPGHLJUXYNGB-GFIONDOKSA-N
Molecular Weight 426.612 g/mol
SMILES O[C@@]1(C[C@@]([C@@]([C@]1(\C=C\[C@@](O)(CCCCC)[H])[H])(C\C=C/CCCC(=O)OC)[H])(SC(=O)C)[H])[H]
SPLASH splash10-0a4i-0001900000-e7a3bba2a5f8b5fbe48a
Source of Spectrum C-103-3478-0
Wiley ID 1379926