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(22E,24S)-DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-ERGOST-22-ENE
SpectraBase Compound ID 3CHKLRaNLze
InChI InChI=1S/C28H42O4/c1-20(14-15-21(2)27(3,4)31-19-30-6)23-16-17-24-25(13-10-18-28(23,24)5)32-26(29)22-11-8-7-9-12-22/h7-9,11-12,14-15,20-21,23-25H,10,13,16-19H2,1-6H3/b15-14+/t20-,21-,23-,24?,25+,28-/m1/s1
InChIKey KQMPBBNOXOZNCO-VCTITLDPSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vt4BVCIVxJ
Name (22E,24S)-DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-ERGOST-22-ENE
CAS Registry Number 100858-24-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-20(14-15-21(2)27(3,4)31-19-30-6)23-16-17-24-25(13-10-18-28(23,24)5)32-26(29)22-11-8-7-9-12-22/h7-9,11-12,14-15,20-21,23-25H,10,13,16-19H2,1-6H3/b15-14+/t20-,21-,23-,24?,25+,28-/m1/s1
InChIKey KQMPBBNOXOZNCO-VCTITLDPSA-N
Literature Reference Author F.J.SARDINA,A.MOURINO,L.CASTEDO
Literature Reference Citation J.ORG.CHEM.,51,1264(1986)
Literature Reference DOI 10.1021/jo00358a018
Molecular Weight 442.639 g/mol
Solvent CDCl3
Source File Reference UWWR5100