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CERTONARDOSTEROL-B3;(E)-26,27-DINOR-24-XI-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,4-BETA,6-ALPHA,15-ALPHA,25-PENTOL
SpectraBase Compound ID FkWOg31YmoR
InChI InChI=1S/C26H44O5/c1-14(13-27)5-6-15(2)18-12-21(30)22-16-11-20(29)23-24(31)19(28)8-10-25(23,3)17(16)7-9-26(18,22)4/h5-6,14-24,27-31H,7-13H2,1-4H3/b6-5+/t14?,15-,16?,17?,18?,19+,20+,21-,22?,23?,24+,25-,26-/m1/s1
InChIKey BHGXXPKHMZXFLF-NUBLBHCHSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H44O5
Exact Mass 436.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KTQSBLZR54
Name CERTONARDOSTEROL-B3;(E)-26,27-DINOR-24-XI-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,4-BETA,6-ALPHA,15-ALPHA,25-PENTOL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H44O5
InChI InChI=1S/C26H44O5/c1-14(13-27)5-6-15(2)18-12-21(30)22-16-11-20(29)23-24(31)19(28)8-10-25(23,3)17(16)7-9-26(18,22)4/h5-6,14-24,27-31H,7-13H2,1-4H3/b6-5+/t14?,15-,16?,17?,18?,19+,20+,21-,22?,23?,24+,25-,26-/m1/s1
InChIKey BHGXXPKHMZXFLF-NUBLBHCHSA-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 436.632 g/mol
Solvent CD3OD
Source File Reference UWMZ6510