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TOPSENTISTEROL_D2;(22-E)-3-BETA-HYDROXY-24-ZETA-METHYL-27-NORCHOLESTA-5,8,22-TRIEN-7-ONE
SpectraBase Compound ID 5UDT28CA5fB
InChI InChI=1S/C27H40O2/c1-6-17(2)7-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7-8,16-18,20-22,28H,6,9-15H2,1-5H3/b8-7+/t17?,18-,20+,21-,22+,26+,27-/m1/s1
InChIKey LTDDELFZQAJPOQ-QUPSIIOLSA-N
Mol Weight 396.6 g/mol
Molecular Formula C27H40O2
Exact Mass 396.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETFPpOrVMuo
Name TOPSENTISTEROL_D2;(22-E)-3-BETA-HYDROXY-24-ZETA-METHYL-27-NORCHOLESTA-5,8,22-TRIEN-7-ONE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O2
InChI InChI=1S/C27H40O2/c1-6-17(2)7-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7-8,16-18,20-22,28H,6,9-15H2,1-5H3/b8-7+/t17?,18-,20+,21-,22+,26+,27-/m1/s1
InChIKey LTDDELFZQAJPOQ-QUPSIIOLSA-N
Literature Reference Author X.LUO,F.LI,P.B.SHINDE,J.HONG,C.O.LEE,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,69,1760(2006)
Literature Reference DOI 10.1021/np0604026
Molecular Weight 396.613 g/mol
Solvent CD3OD
Source File Reference UWMZ17645