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CERTONARDOSTEROL-J;(E)-(24S,25R)-23,24-DIMETHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,6-ALPHA,15-BETA,26-TETROL
SpectraBase Compound ID 3VSW71TWnPQ
InChI InChI=1S/C29H50O4/c1-16(19(4)18(3)15-30)11-17(2)23-14-26(33)27-21-13-25(32)24-12-20(31)7-9-28(24,5)22(21)8-10-29(23,27)6/h11,17-27,30-33H,7-10,12-15H2,1-6H3/b16-11+/t17-,18-,19-,20+,21-,22?,23?,24?,25+,26-,27?,28-,29-/m1/s1
InChIKey GEUZMMXOSWUBAU-IATHMCIDSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7kSHMfDVNU
Name CERTONARDOSTEROL-J;(E)-(24S,25R)-23,24-DIMETHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,6-ALPHA,15-BETA,26-TETROL
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-16(19(4)18(3)15-30)11-17(2)23-14-26(33)27-21-13-25(32)24-12-20(31)7-9-28(24,5)22(21)8-10-29(23,27)6/h11,17-27,30-33H,7-10,12-15H2,1-6H3/b16-11+/t17-,18-,19-,20+,21-,22?,23?,24?,25+,26-,27?,28-,29-/m1/s1
InChIKey GEUZMMXOSWUBAU-IATHMCIDSA-N
Literature Reference Author W.WANG,F.LI,Y.PARK,J.HONG,C.O.LEE,J.Y.KONG,S.SHIN,K.S.IM,J.H .JUNG
Literature Reference Citation J.NAT.PROD.,66,384(2003)
Literature Reference DOI 10.1021/np020507i
Molecular Weight 462.714 g/mol
Solvent CD3OD
Source File Reference UWSI4642