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SpectraBase Compound ID | 5iS8ZKpCgtz |
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InChI | InChI=1S/C38H52N6O7S/c1-22(2)17-29(41-24(4)45)35(48)44-32(21-52-38(5,6)7)36(49)42-30(19-26-20-39-28-16-12-11-15-27(26)28)34(47)40-23(3)33(46)43-31(37(50)51)18-25-13-9-8-10-14-25/h8-16,20,22-23,29-32,39H,17-19,21H2,1-7H3,(H,40,47)(H,41,45)(H,42,49)(H,43,46)(H,44,48)(H,50,51) |
InChIKey | ZUTWKERJPWGHPW-UHFFFAOYSA-N |
Mol Weight | 736.9 g/mol |
Molecular Formula | C38H52N6O7S |
Exact Mass | 736.361819 g/mol |
SpectraBase Spectrum ID | Bjj27WYeFjJ |
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Name | MAJOR_PRODUCT |
Compound Number | 1A |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C38H52N6O7S |
InChI | InChI=1S/C38H52N6O7S/c1-22(2)17-29(41-24(4)45)35(48)44-32(21-52-38(5,6)7)36(49)42-30(19-26-20-39-28-16-12-11-15-27(26)28)34(47)40-23(3)33(46)43-31(37(50)51)18-25-13-9-8-10-14-25/h8-16,20,22-23,29-32,39H,17-19,21H2,1-7H3,(H,40,47)(H,41,45)(H,42,49)(H,43,46)(H,44,48)(H,50,51) |
InChIKey | ZUTWKERJPWGHPW-UHFFFAOYSA-N |
Literature Reference Author | J.P.SINGH,S.TAMANG,P.R.RAJAMOHANAN,N.C.JIMA,G.CHAKRABORTY,G. C.KUNDU,S.M.GAIKWAD, |
Literature Reference Citation | J.MED.CHEM.,53,5121(2010) |
Literature Reference DOI | 10.1021/jm9014179 |
Molecular Weight | 736.927 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWMZ47388 |