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TRANS-2-(6'-METHOXYCARBONYLHEXYL)-3-(E-3''-THIA-1''-OCTENYL)-4-HYDROXY-CYCLOPENTANONE;(+/-)-15-THIA-DEOXY-PGE1-METHYLESTER

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TRANS-2-(6'-METHOXYCARBONYLHEXYL)-3-(E-3''-THIA-1''-OCTENYL)-4-HYDROXY-CYCLOPENTANONE;(+/-)-15-THIA-DEOXY-PGE1-METHYLESTER
SpectraBase Compound ID 5xBZsKrlZhP
InChI InChI=1S/C20H34O4S/c1-3-4-9-13-25-14-12-17-16(18(21)15-19(17)22)10-7-5-6-8-11-20(23)24-2/h12,14,16-17,19,22H,3-11,13,15H2,1-2H3/b14-12+/t16-,17-,19-/m1/s1
InChIKey LLDBNLPONUZRKI-WOXJAZAKSA-N
Mol Weight 370.5 g/mol
Molecular Formula C20H34O4S
Exact Mass 370.217781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KTbu4pi9cb
Name TRANS-2-(6'-METHOXYCARBONYLHEXYL)-3-(E-3''-THIA-1''-OCTENYL)-4-HYDROXY-CYCLOPENTANONE;(+/-)-15-THIA-DEOXY-PGE1-METHYLESTER
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34O4S
InChI InChI=1S/C20H34O4S/c1-3-4-9-13-25-14-12-17-16(18(21)15-19(17)22)10-7-5-6-8-11-20(23)24-2/h12,14,16-17,19,22H,3-11,13,15H2,1-2H3/b14-12+/t16-,17-,19-/m1/s1
InChIKey LLDBNLPONUZRKI-WOXJAZAKSA-N
Literature Reference Author H.L.HOLLAND,E.S.RATEMI,L.CONTRERAS
Literature Reference Citation CAN.J.CHEM.,72,1(1994)
Literature Reference DOI 10.1139/v94-001
Molecular Weight 370.548 g/mol
Solvent Unknown
Source File Reference UWPR1536