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object
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_id
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IxAnSERonO5
spectrumID
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IxAnSERonO5
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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(5Z,13E,8R,9S,11R,12S,15S)-11,15-BIS-(TERT.-BUTYLDIMETHYLSILOXY)-9-(METHYLAMINO)-8-(PHENYLSULFONYL)-5,13-PROSTADIENOIC-ACID

View entire compound with spectra: 1 NMR

(5Z,13E,8R,9S,11R,12S,15S)-11,15-BIS-(TERT.-BUTYLDIMETHYLSILOXY)-9-(METHYLAMINO)-8-(PHENYLSULFONYL)-5,13-PROSTADIENOIC-ACID
SpectraBase Compound ID 2L0dYGYFDmp
InChI InChI=1S/C39H69NO6SSi2/c1-13-14-18-23-31(45-48(9,10)37(2,3)4)27-28-33-34(46-49(11,12)38(5,6)7)30-35(40-8)39(33,29-22-16-15-21-26-36(41)42)47(43,44)32-24-19-17-20-25-32/h16-17,19-20,22,24-25,27-28,31,33-35,40H,13-15,18,21,23,26,29-30H2,1-12H3,(H,41,42)/b22-16-,28-27+/t31-,33-,34+,35-,39+/m0/s1
InChIKey MCZNFJXMODMPMQ-OSZFFFCVSA-N
Mol Weight 736.2 g/mol
Molecular Formula C39H69NO6SSi2
Exact Mass 735.438413 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxAnSERonO5
Name (5Z,13E,8R,9S,11R,12S,15S)-11,15-BIS-(TERT.-BUTYLDIMETHYLSILOXY)-9-(METHYLAMINO)-8-(PHENYLSULFONYL)-5,13-PROSTADIENOIC-ACID
CAS Registry Number 77494-48-5
Compound Number 120
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H69NO6SSi2
InChI InChI=1S/C39H69NO6SSi2/c1-13-14-18-23-31(45-48(9,10)37(2,3)4)27-28-33-34(46-49(11,12)38(5,6)7)30-35(40-8)39(33,29-22-16-15-21-26-36(41)42)47(43,44)32-24-19-17-20-25-32/h16-17,19-20,22,24-25,27-28,31,33-35,40H,13-15,18,21,23,26,29-30H2,1-12H3,(H,41,42)/b22-16-,28-27+/t31-,33-,34+,35-,39+/m0/s1
InChIKey MCZNFJXMODMPMQ-OSZFFFCVSA-N
Literature Reference Author R.E.DONALDSON,J.C.SADDLER,S.BYRN,A.T.MCKENZIE,P.L.FUCHS
Literature Reference Citation J.ORG.CHEM.,48,2167(1983)
Literature Reference DOI 10.1021/jo00161a010
Molecular Weight 736.211 g/mol
Solvent CDCl3
Source File Reference UNIW22472
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