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PONASTERONE-A;(20R,22R)-2-BETA,3-BETA,14-ALPHA,20,22-PENTAHYDROXY-5-BETA-CHOLEST-7-EN-6-ONE
SpectraBase Compound ID FghNMS0PHVM
InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26?,27+/m0/s1
InChIKey PJYYBCXMCWDUAZ-VUMURMMZSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYixSC68xY5
Name (20R,22R)-2-BETA,3-BETA,14,20,22-PENTAHYDROXY-5-BETA-CHOLEST-7-EN-6-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O6
InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26?,27+/m0/s1
InChIKey PJYYBCXMCWDUAZ-VUMURMMZSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 464.643 g/mol
Solvent PYRIDINE
Source File Reference UNIW3950