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CERTONARDOSTEROL-Q3;(24S)-3-BETA,6-ALPHA,8,24-TETRAHYDROXY-5-ALPHA-CHOLESTAN-15-ONE
SpectraBase Compound ID 4cizkGhs4Ly
InChI InChI=1S/C27H46O5/c1-15(2)20(29)7-6-16(3)18-13-21(30)24-26(18,5)11-9-23-25(4)10-8-17(28)12-19(25)22(31)14-27(23,24)32/h15-20,22-24,28-29,31-32H,6-14H2,1-5H3/t16-,17+,18?,19?,20-,22+,23?,24?,25+,26-,27+/m1/s1
InChIKey HRUJIYHHMYANHN-FUOZSQEOSA-N
Mol Weight 450.7 g/mol
Molecular Formula C27H46O5
Exact Mass 450.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lr2clXERyZ6
Name CERTONARDOSTEROL-Q3;(24S)-3-BETA,6-ALPHA,8,24-TETRAHYDROXY-5-ALPHA-CHOLESTAN-15-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O5
InChI InChI=1S/C27H46O5/c1-15(2)20(29)7-6-16(3)18-13-21(30)24-26(18,5)11-9-23-25(4)10-8-17(28)12-19(25)22(31)14-27(23,24)32/h15-20,22-24,28-29,31-32H,6-14H2,1-5H3/t16-,17+,18?,19?,20-,22+,23?,24?,25+,26-,27+/m1/s1
InChIKey HRUJIYHHMYANHN-FUOZSQEOSA-N
Literature Reference Author W.WANG,H.JANG,J.HONG,C.O.LEE,K.S.IM,S.J.BAE,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,67,1654(2004)
Literature Reference DOI 10.1021/np049869b
Molecular Weight 450.659 g/mol
Solvent CD3OD
Source File Reference UWMZ6504