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2-ETHOXYCARBONYL-2-BETA,7-BETA-DIHYDROXY-A-NOR-CHOLESTA-5-EN-4-ONE
SpectraBase Compound ID EwXwI4Q8vIq
InChI InChI=1S/C29H46O5/c1-7-34-26(32)29(33)16-28(6)21-13-14-27(5)19(18(4)10-8-9-17(2)3)11-12-20(27)24(21)23(30)15-22(28)25(29)31/h15,17-21,23-24,30,33H,7-14,16H2,1-6H3/t18-,19-,20+,21+,23+,24+,27-,28-,29+/m1/s1
InChIKey LWPQYXUQONLZTN-TYIMOJGGSA-N
Mol Weight 474.7 g/mol
Molecular Formula C29H46O5
Exact Mass 474.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4y8tqfKa2mb
Name 2-ETHOXYCARBONYL-2-BETA,7-BETA-DIHYDROXY-A-NOR-CHOLESTA-5-EN-4-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O5
InChI InChI=1S/C29H46O5/c1-7-34-26(32)29(33)16-28(6)21-13-14-27(5)19(18(4)10-8-9-17(2)3)11-12-20(27)24(21)23(30)15-22(28)25(29)31/h15,17-21,23-24,30,33H,7-14,16H2,1-6H3/t18-,19-,20+,21+,23+,24+,27-,28-,29+/m1/s1
InChIKey LWPQYXUQONLZTN-TYIMOJGGSA-N
Literature Reference Author S.YU,Z.DENG,P.PROKSCH,W.LIN
Literature Reference Citation J.NAT.PROD.,69,1330(2006)
Literature Reference DOI 10.1021/np0600494
Molecular Weight 474.681 g/mol
Solvent CDCl3
Source File Reference UWMZ15509