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TOPSENTISTEROL_A3;(22-E)-5-ALPHA,8-ALPHA-EPIDIOXY-24-ZETA-METHYL-27-NORCHOLESTA-6,9-(11),22-TRIEN-3-BETA-OL
SpectraBase Compound ID 6SE1bQYrh4y
InChI InChI=1S/C27H40O3/c1-6-18(2)7-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h7-8,12,15-16,18-22,28H,6,9-11,13-14,17H2,1-5H3/b8-7+/t18?,19-,20+,21-,22-,24-,25-,26-,27+/m1/s1
InChIKey QRMRXDOWNSSATH-BULWRACLSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oj4UfLKKnF
Name TOPSENTISTEROL_A3;(22-E)-5-ALPHA,8-ALPHA-EPIDIOXY-24-ZETA-METHYL-27-NORCHOLESTA-6,9-(11),22-TRIEN-3-BETA-OL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-6-18(2)7-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h7-8,12,15-16,18-22,28H,6,9-11,13-14,17H2,1-5H3/b8-7+/t18?,19-,20+,21-,22-,24-,25-,26-,27+/m1/s1
InChIKey QRMRXDOWNSSATH-BULWRACLSA-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 412.613 g/mol
Solvent CD3OD
Source File Reference UWMZ17633