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#SI-6;(1R,3S,6R,7R,10S,11S,14S,15R)-11-[N-BENZYL-N-[3-BENZYLOXY-(2-R)-2-HYDROXYPROPYL]-AMINOMETHYL]-3,11-DIHYDROXY-6,10-DIMETHYLPENTACYCLO-[13.2.2.0(1,6).0(7,1
SpectraBase Compound ID DbtlTKX1ufq
InChI InChI=1S/C45H55NO5S/c1-31-14-15-37(52-31)40(49)36-25-43-22-23-45(36)38(41(43,2)19-16-34(47)24-43)17-20-42(3)39(45)18-21-44(42,50)30-46(26-32-10-6-4-7-11-32)27-35(48)29-51-28-33-12-8-5-9-13-33/h4-15,22-23,25,34-35,38-39,47-48,50H,16-21,24,26-30H2,1-3H3/t34-,35+,38+,39+,41+,42-,43-,44+,45+/m0/s1
InChIKey YWGNXCDOJYIHSD-PNVKYWRCSA-N
Mol Weight 722.0 g/mol
Molecular Formula C45H55NO5S
Exact Mass 721.380095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FKwARuHwdl
Name #SI-6;(1R,3S,6R,7R,10S,11S,14S,15R)-11-[N-BENZYL-N-[3-BENZYLOXY-(2-R)-2-HYDROXYPROPYL]-AMINOMETHYL]-3,11-DIHYDROXY-6,10-DIMETHYLPENTACYCLO-[13.2.2.0(1,6).0(7,1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H55NO5S
InChI InChI=1S/C45H55NO5S/c1-31-14-15-37(52-31)40(49)36-25-43-22-23-45(36)38(41(43,2)19-16-34(47)24-43)17-20-42(3)39(45)18-21-44(42,50)30-46(26-32-10-6-4-7-11-32)27-35(48)29-51-28-33-12-8-5-9-13-33/h4-15,22-23,25,34-35,38-39,47-48,50H,16-21,24,26-30H2,1-3H3/t34-,35+,38+,39+,41+,42-,43-,44+,45+/m0/s1
InChIKey YWGNXCDOJYIHSD-PNVKYWRCSA-N
Literature Reference Author N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER
Literature Reference Citation ORG.LETTERS,7,2535(2005)
Literature Reference DOI 10.1021/ol0504345
Molecular Weight 721.995 g/mol
Sample ID 42965
Solvent CDCl3