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5-Iodo-5,6,13,14-tetrahydro-15-epi-13-thiaprostacyclin - Methyl Ester
SpectraBase Compound ID 1WNtQEicLa
InChI InChI=1S/C20H35IO5S/c1-3-4-5-7-13(22)12-27-20-14-10-18(26-17(14)11-16(20)23)15(21)8-6-9-19(24)25-2/h13-18,20,22-23H,3-12H2,1-2H3/t13-,14?,15?,16-,17?,18?,20-/m1/s1
InChIKey GBOKIUZBQPUYAQ-GMLCPXAMSA-N
Mol Weight 514.5 g/mol
Molecular Formula C20H35IO5S
Exact Mass 514.12499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4bH7bIbkqO
Name 5-Iodo-5,6,13,14-tetrahydro-15-epi-13-thiaprostacyclin - Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35IO5S
InChI InChI=1S/C20H35IO5S/c1-3-4-5-7-13(22)12-27-20-14-10-18(26-17(14)11-16(20)23)15(21)8-6-9-19(24)25-2/h13-18,20,22-23H,3-12H2,1-2H3/t13-,14?,15?,16-,17?,18?,20-/m1/s1
InChIKey GBOKIUZBQPUYAQ-GMLCPXAMSA-N
Molecular Weight 514.459 g/mol
SMILES O[C@@](CS[C@]1([C@@](CC2C1CC(O2)C(I)CCCC(=O)OC)(O)[H])[H])(CCCCC)[H]
SPLASH splash10-0znc-9840000000-1b539304b4be3f337e51
Source of Spectrum F2-113-124-13
Wiley ID 1549608