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cis-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-{trans-3(RS)-3-HYDROXY-4-[(3-THIENYL)OXY]-1-BUTENYL}CYCLOPENTYL}-5-HEPTENECARBOXYLIC ACID
SpectraBase Compound ID A4PeFLoeXBp
InChI InChI=1S/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14?,16-,17-,18+,19-/m1/s1
InChIKey FYBFDIIAPRHIQS-JRSBLEPXSA-N
Mol Weight 396.5 g/mol
Molecular Formula C20H28O6S
Exact Mass 396.16066 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JuUTZKiwDMR
Name cis-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-{trans-3(RS)-3-HYDROXY-4-[(3-THIENYL)OXY]-1-BUTENYL}CYCLOPENTYL}-5-HEPTENECARBOXYLIC ACID
Source of Sample W. Bartmann, Hoechst Ag, Frankfurt/Main, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O6S
InChI InChI=1S/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14?,16-,17-,18+,19-/m1/s1
InChIKey FYBFDIIAPRHIQS-JRSBLEPXSA-N
Literature Reference PROSTAGLANDINS 17, 301(1979) Abstract-Chemical Abstracts= 90, 197992(1979)
Molecular Weight 396.497986
Synonyms 5-HEPTENECARBOXYLIC ACID, 7-//1R,2R,3R,5S/-3,5-DIHYDROXY- 2-/TRANS-3/RS/-3-HYDROXY-4- //3-THIENYL/OXY/-1-BUTENYL/CYCLO- PENTYL/-, CIS-,
Technique CAPILLARY CELL: NEAT