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(25R)-26-IODINE-CHOLEST-4-EN-3,16,22-TRIONE

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(25R)-26-IODINE-CHOLEST-4-EN-3,16,22-TRIONE
SpectraBase Compound ID 56FDeEIdKLL
InChI InChI=1S/C27H39IO3/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-22,25H,5-12,14-15H2,1-4H3/t16-,17-,20-,21+,22+,25+,26+,27+/m1/s1
InChIKey NHMVKIXGNOZZOH-AMSGTRTDSA-N
Mol Weight 538.5 g/mol
Molecular Formula C27H39IO3
Exact Mass 538.19439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOG1jnAs7Ez
Name (25R)-26-IODINE-CHOLEST-4-EN-3,16,22-TRIONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39IO3
InChI InChI=1S/C27H39IO3/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-22,25H,5-12,14-15H2,1-4H3/t16-,17-,20-,21+,22+,25+,26+,27+/m1/s1
InChIKey NHMVKIXGNOZZOH-AMSGTRTDSA-N
Literature Reference Author A.PABON,G.ESCOBAR,E.VARGAS,V.CRUZ,R.NOTARIO,S.BLAIR,F.ECHEVE RRI
Literature Reference Citation MOLECULES,18,3356(2013)
Literature Reference DOI 10.3390/molecules18033356
Molecular Weight 538.509 g/mol
Solvent CDCl3
Source File Reference UWBT8993