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(22R)-DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-CHOLEST-23-YN-22-OL
SpectraBase Compound ID 9s8LMqkPWTP
InChI InChI=1S/C27H38O5/c1-19(23(28)15-17-26(2,3)31-18-30-5)21-13-14-22-24(12-9-16-27(21,22)4)32-25(29)20-10-7-6-8-11-20/h6-8,10-11,19,21-24,28H,9,12-14,16,18H2,1-5H3/t19-,21+,22?,23-,24-,27+/m0/s1
InChIKey KZCGXVQSDRGSNX-PAXLJCAHSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILJmVbfLK8i
Name (22R)-DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-CHOLEST-23-YN-22-OL
CAS Registry Number 100858-20-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-19(23(28)15-17-26(2,3)31-18-30-5)21-13-14-22-24(12-9-16-27(21,22)4)32-25(29)20-10-7-6-8-11-20/h6-8,10-11,19,21-24,28H,9,12-14,16,18H2,1-5H3/t19-,21+,22?,23-,24-,27+/m0/s1
InChIKey KZCGXVQSDRGSNX-PAXLJCAHSA-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 442.596 g/mol
Solvent CDCl3
Source File Reference UWWR5102