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#13B;(-)-(6AR,7R,10S,10AS)-10B-HYDROXY-6A-[(R)-[[(1R,2R,4R)-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-1,6A,7,10-TETRAHYDRO-7,10-METHANEPY

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#13B;(-)-(6AR,7R,10S,10AS)-10B-HYDROXY-6A-[(R)-[[(1R,2R,4R)-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-1,6A,7,10-TETRAHYDRO-7,10-METHANEPY
SpectraBase Compound ID 854NLq8oRmg
InChI InChI=1S/C23H29NO3S/c1-21(2)15-8-9-22(21,18(25)12-15)13-28(27)23-16-7-6-14(11-16)19(23)17-5-3-4-10-24(17)20(23)26/h3-7,14-16,18-19,25H,8-13H2,1-2H3/t14-,15+,16+,18+,19+,22+,23-,28?/m1/s1
InChIKey TXFZTPXWEIEGCH-VBGQYVIASA-N
Mol Weight 399.55 g/mol
Molecular Formula C23H29NO3S
Exact Mass 399.186815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ec2NhZc3VFu
Name #13B;(-)-(6AR,7R,10S,10AS)-10B-HYDROXY-6A-[(R)-[[(1R,2R,4R)-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-1,6A,7,10-TETRAHYDRO-7,10-METHANEPY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29NO3S
InChI InChI=1S/C23H29NO3S/c1-21(2)15-8-9-22(21,18(25)12-15)13-28(27)23-16-7-6-14(11-16)19(23)17-5-3-4-10-24(17)20(23)26/h3-7,14-16,18-19,25H,8-13H2,1-2H3/t14-,15+,16+,18+,19+,22+,23-,28?/m1/s1
InChIKey TXFZTPXWEIEGCH-VBGQYVIASA-N
Literature Reference Author A.GOMEZ-SANJUAN,N.SOTOMAYOR,E.LETE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,6722(2013)
Literature Reference DOI 10.1002/ejoc.201300889
Molecular Weight 399.548 g/mol
Solvent CDCl3
Source File Reference UWBT18487