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17,24-EPOXY-25-HYDROXY-3-OXO-BACCHARAN-21-OIC-ACID-METHYLESTER
SpectraBase Compound ID FeJh8fzXoPB
InChI InChI=1S/C31H50O5/c1-26(2)20-11-15-30(7)21(28(20,5)14-12-22(26)32)10-9-19-24-31(25(33)35-8,18-17-29(19,30)6)16-13-23(36-24)27(3,4)34/h19-21,23-24,34H,9-18H2,1-8H3/t19?,20?,21?,23-,24+,28-,29+,30+,31-/m0/s1
InChIKey XYFYKMGSZUXIEG-UHZWCIOHSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H50O5
Exact Mass 502.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MG1kzxXqx9
Name 17,24-EPOXY-25-HYDROXY-3-OXO-BACCHARAN-21-OIC-ACID-METHYLESTER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-26(2)20-11-15-30(7)21(28(20,5)14-12-22(26)32)10-9-19-24-31(25(33)35-8,18-17-29(19,30)6)16-13-23(36-24)27(3,4)34/h19-21,23-24,34H,9-18H2,1-8H3/t19?,20?,21?,23-,24+,28-,29+,30+,31-/m0/s1
InChIKey XYFYKMGSZUXIEG-UHZWCIOHSA-N
Literature Reference Author B.Y.HWANG,B.N.SU,H.CHAI,Q.MI,L.B.S.KARDONO,J.J.AFRIASTINI,S. RISWAN,B.D.SANTARSIE
Literature Reference Citation J.ORG.CHEM.,69,3350(2004)
Literature Reference DOI 10.1021/jo040120f
Molecular Weight 502.735 g/mol
Solvent CDCl3
Source File Reference UWVN21323