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BIANTHRONE_J

View entire compound with spectra: 2 NMR, and 1 MS (GC)

BIANTHRONE_J
SpectraBase Compound ID HPB9O4wxfte
InChI InChI=1S/C42H42O8/c1-19(2)9-11-23-31(49-7)17-27-33(25-13-21(5)15-29(43)35(25)41(47)37(27)39(23)45)34-26-14-22(6)16-30(44)36(26)42(48)38-28(34)18-32(50-8)24(40(38)46)12-10-20(3)4/h9-20,33-34,43-46H,1-8H3/b11-9-,12-10-
InChIKey POFNOQGDXLTAQC-HWAYABPNSA-N
Mol Weight 674.8 g/mol
Molecular Formula C42H42O8
Exact Mass 674.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZyIqoR92V0
Name BIANTHRONE_J
Compound Number 1A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42O8
InChI InChI=1S/C42H42O8/c1-19(2)9-11-23-31(49-7)17-27-33(25-13-21(5)15-29(43)35(25)41(47)37(27)39(23)45)34-26-14-22(6)16-30(44)36(26)42(48)38-28(34)18-32(50-8)24(40(38)46)12-10-20(3)4/h9-20,33-34,43-46H,1-8H3/b11-9-,12-10-
InChIKey POFNOQGDXLTAQC-HWAYABPNSA-N
Literature Reference Author N.BOONNAK,C.KARALAI,S.CHANTRAPROMMA,C.PONGLIMANONT,A.KRANJAN A-OPAS,K.CHANTRAPROM
Literature Reference Citation CAN.J.CHEM.,85,341(2007)
Literature Reference DOI 10.1139/v07-031
Molecular Weight 674.791 g/mol
Solvent CDCl3
Source File Reference UWMZ46400