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16-BETA-ACETOXY-20,24-DIMETHYL-12,24-DIOXO-25-NORSCALARANE
SpectraBase Compound ID 1cXAaklkB5l
InChI InChI=1S/C28H44O4/c1-8-25(4)11-9-12-26(5)21(25)10-13-27(6)22-14-20(32-18(3)30)19(17(2)29)16-28(22,7)24(31)15-23(26)27/h19-23H,8-16H2,1-7H3/t19-,20+,21+,22+,23-,25+,26+,27+,28-/m1/s1
InChIKey MCJSEGKFHTYQEN-JIWMTLMISA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8scvL11be1O
Name 16-BETA-ACETOXY-20,24-DIMETHYL-12,24-DIOXO-25-NORSCALARANE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-8-25(4)11-9-12-26(5)21(25)10-13-27(6)22-14-20(32-18(3)30)19(17(2)29)16-28(22,7)24(31)15-23(26)27/h19-23H,8-16H2,1-7H3/t19-,20+,21+,22+,23-,25+,26+,27+,28-/m1/s1
InChIKey MCJSEGKFHTYQEN-JIWMTLMISA-N
Literature Reference Author L.P.PONOMARENKO,A.I.KALINOVSKY,V.A.STONIK
Literature Reference Citation J.NAT.PROD.,67,1507(2004)
Literature Reference DOI 10.1021/np040073m
Molecular Weight 444.655 g/mol
Solvent CDCl3
Source File Reference UWMZ8065