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4-DESMETHYL-9-KETO-EPOTHILONE-D;DIASTEREOMER-1
SpectraBase Compound ID 1NRjhu37yz1
InChI InChI=1S/C26H37NO6S/c1-14-7-9-21(28)16(3)25(31)18(5)26(32)17(4)22(29)12-24(30)33-23(10-8-14)15(2)11-20-13-34-19(6)27-20/h8,11,13,16-18,22-23,25,29,31H,7,9-10,12H2,1-6H3/b14-8-,15-11+/t16-,17?,18+,22-,23-,25-/m0/s1
InChIKey NSVRZISPMRJNOX-WNSLFTFASA-N
Mol Weight 491.6 g/mol
Molecular Formula C26H37NO6S
Exact Mass 491.234159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aj3fLrAMSHK
Name 4-DESMETHYL-9-KETO-EPOTHILONE-D;DIASTEREOMER-2
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H37NO6S
InChI InChI=1S/C26H37NO6S/c1-14-7-9-21(28)16(3)25(31)18(5)26(32)17(4)22(29)12-24(30)33-23(10-8-14)15(2)11-20-13-34-19(6)27-20/h8,11,13,16-18,22-23,25,29,31H,7,9-10,12H2,1-6H3/b14-8-,15-11+/t16-,17?,18+,22-,23-,25-/m0/s1
InChIKey NSVRZISPMRJNOX-WNSLFTFASA-N
Literature Reference Author C.M.STARKS,Y.ZHOU,F.LIU,P.J.LICARI
Literature Reference Citation J.NAT.PROD.,66,1313(2003)
Literature Reference DOI 10.1021/np030218+
Molecular Weight 491.643 g/mol
Solvent CDCl3
Source File Reference UWSP1083