Wiley SpectraBase; SpectraBase Compound ID=HDUEgfZoKv SpectraBase Spectrum ID=7ghtFyrODDz
http://spectrabase.com/spectrum/7ghtFyrODDz (accessed Sep 30, 2020).

8-O-(7-AMINOHEPTANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN
SpectraBase Compound ID HDUEgfZoKv
InChI InChI=1S/C37H57NO12/c1-8-10-11-12-15-19-27(41)47-31-29-28(23(4)30(31)48-33(42)22(3)9-2)32-37(45,36(7,44)34(43)49-32)25(21-35(29,6)50-24(5)39)46-26(40)18-16-13-14-17-20-38/h9,25,29-32,44-45H,8,10-21,38H2,1-7H3/b22-9-/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1
InChIKey SIEDIZMEAXOTQU-ZYCZBHKHSA-N
Mol Weight 707.9 g/mol
Molecular Formula C37H57NO12
Exact Mass 707.388077 g/mol

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SpectraBase Spectrum ID 7ghtFyrODDz
SpectraBase Batch ID CuzLEX2z3pC
Name 8-O-(7-AMINOHEPTANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN
Compound Number 6G
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H57NO12
InChI InChI=1S/C37H57NO12/c1-8-10-11-12-15-19-27(41)47-31-29-28(23(4)30(31)48-33(42)22(3)9-2)32-37(45,36(7,44)34(43)49-32)25(21-35(29,6)50-24(5)39)46-26(40)18-16-13-14-17-20-38/h9,25,29-32,44-45H,8,10-21,38H2,1-7H3/b22-9-/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1
InChIKey SIEDIZMEAXOTQU-ZYCZBHKHSA-N
Literature Reference Author C.M.JAKOBSEN,S.R.DENMEADE,J.T.ISAACS,A.GADY,C.E.OLSEN,S.B.CH RISTENSEN
Literature Reference Citation J.MED.CHEM.,44,4696(2001)
Literature Reference DOI 10.1021/jm010985a
Molecular Weight 707.859 g/mol
Sample ID 45254
Solvent CDCl3
SpectraBase Compound ID HDUEgfZoKv