John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=151KHkrwJqO SpectraBase Spectrum ID=1jnNuP75weD

(accessed ).
(11S,13S,16S,3'S,3''S,3'''S)-2-ALPHA,6-ALPHA-DIACETOXY-19-[[3'-[[3''-[(3'''-ACETOXYBUTYRYL)-OXY]BUTYRYL]-OXY]BUTYRYL]OXY]-4-ALPHA,18;11,16-DIEPOXYNEOClERODAN-15;CO
SpectraBase Compound ID 151KHkrwJqO
InChI InChI=1S/C38H54O16/c1-19-9-30(52-25(7)41)38(18-46-31(42)10-21(3)49-33(44)12-22(4)50-32(43)11-20(2)48-23(5)39)28(15-27(51-24(6)40)16-37(38)17-47-37)36(19,8)29-13-26-14-34(45)54-35(26)53-29/h19-22,26-30,35H,9-18H2,1-8H3/t19-,20+,21+,22+,26-,27-,28-,29-,30+,35+,36+,37+,38+/m0/s1
InChIKey CJGGMOXJVMZIQC-JTLKQQHISA-N
Mol Weight 766.8 g/mol
Molecular Formula C38H54O16
Exact Mass 766.341186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jnNuP75weD
Name (11S,13S,16S,3'S,3''S,3'''S)-2-ALPHA,6-ALPHA-DIACETOXY-19-[[3'-[[3''-[(3'''-ACETOXYBUTYRYL)-OXY]BUTYRYL]-OXY]BUTYRYL]OXY]-4-ALPHA,18;11,16-DIEPOXYNEOClERODAN-15;CO
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H54O16
InChI InChI=1S/C38H54O16/c1-19-9-30(52-25(7)41)38(18-46-31(42)10-21(3)49-33(44)12-22(4)50-32(43)11-20(2)48-23(5)39)28(15-27(51-24(6)40)16-37(38)17-47-37)36(19,8)29-13-26-14-34(45)54-35(26)53-29/h19-22,26-30,35H,9-18H2,1-8H3/t19-,20+,21+,22+,26-,27-,28-,29-,30+,35+,36+,37+,38+/m0/s1
InChIKey CJGGMOXJVMZIQC-JTLKQQHISA-N
Literature Reference Author B.RODRIGUEZ,M.C.DELATORRE,M.L.JIMENO,M.BRUNO,N.VASSALLO,M.L. BONDI,F.PIOZZI,O.SER
Literature Reference Citation J.NAT.PROD.,60,348(1997)
Literature Reference DOI 10.1021/np960714g
Molecular Weight 766.837 g/mol
Solvent CDCl3
Source File Reference UWCP37
SpectraBase Batch ID 9in4dJm4ZeE