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ISOANHYDROBELACHINOL;ANOMER-#1
SpectraBase Compound ID Dbk0YxdKVpW
InChI InChI=1S/C30H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30-27(14-9-17-33-28(30)34-25)26(24(5)20-31)15-16-29(30,6)32/h8,10,12-13,18,20,25,27-28,32H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27+,28+,29-,30-/m0/s1
InChIKey RPXRCEJKIKHRBO-JRFMIZDWSA-N
Mol Weight 468.7 g/mol
Molecular Formula C30H44O4
Exact Mass 468.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0RurRTDNPr
Name ISOANHYDROBELACHINOL;ANOMER-#1
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O4
InChI InChI=1S/C30H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30-27(14-9-17-33-28(30)34-25)26(24(5)20-31)15-16-29(30,6)32/h8,10,12-13,18,20,25,27-28,32H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27+,28+,29-,30-/m0/s1
InChIKey RPXRCEJKIKHRBO-JRFMIZDWSA-N
Literature Reference Author H.ITO,S.ONOUE,Y.MIYAKE,T.YOSHIDA
Literature Reference Citation J.NAT.PROD.,62,89(1999)
Literature Reference DOI 10.1021/np980271b
Molecular Weight 468.677 g/mol
Solvent CDCl3
Source File Reference UWCS19861