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PODECDYSONE_B;(20-R,22-R)-2-BETA,3-BETA,20,22,25-PENTAHYDROXY-5-BETA-CHOLESTA-8,14-DIEN-6-ONE
SpectraBase Compound ID HEtrm33ly3H
InChI InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27?/m0/s1
InChIKey AEFMTBQZWMUASH-QNFBWFNASA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vQQrZUr2Rg
Name PODECDYSONE_B;(20-R,22-R)-2-BETA,3-BETA,20,22,25-PENTAHYDROXY-5-BETA-CHOLESTA-8,14-DIEN-6-ONE
Compound Number IV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27?/m0/s1
InChIKey AEFMTBQZWMUASH-QNFBWFNASA-N
Literature Reference Author V.N.ODINOKOV,I.V.GALYAUTDINOV,D.V.NEDOPEKIN,N.A.VESKINA,L.M. KHALILOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,952(2003)
Literature Reference DOI 10.1023/B:RUJO.0000003183.84168.79
Molecular Weight 462.627 g/mol
Solvent CD3OD
Source File Reference UWMZ21589