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CERTONARDOSTEROL-Q5;(25S)-3-BETA,4-BETA,6-ALPHA,26-TETRAHYDROXY-24-METHYL-5-ALPHA-CHOLESTA-8(14),24(24(1))-DIEN-15-ONE
SpectraBase Compound ID 512wWFV3Mso
InChI InChI=1S/C28H44O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h16-17,19-22,25-26,29-31,33H,1,6-14H2,2-5H3/t16-,17+,19?,20?,21+,22+,25?,26+,27-,28-/m1/s1
InChIKey ZQHSDLDNYVKIDE-SSXJQXCXSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8no8VLiFz8o
Name CERTONARDOSTEROL-Q5;(25S)-3-BETA,4-BETA,6-ALPHA,26-TETRAHYDROXY-24-METHYL-5-ALPHA-CHOLESTA-8(14),24(24(1))-DIEN-15-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h16-17,19-22,25-26,29-31,33H,1,6-14H2,2-5H3/t16-,17+,19?,20?,21+,22+,25?,26+,27-,28-/m1/s1
InChIKey ZQHSDLDNYVKIDE-SSXJQXCXSA-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 460.654 g/mol
Solvent CD3OD
Source File Reference UWMZ6506