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TOPSENTISTEROL_C1;(24-R,25-R,27-R)-3-BETA,5-ALPHA,9-ALPHA-TRIHYDROXY-26,27-CYCLO-24,27-DIMETHYLCHOLEST-7-EN-6-ONE
SpectraBase Compound ID GtHtSOfYwLq
InChI InChI=1S/C29H46O4/c1-17(21-14-19(21)3)6-7-18(2)22-8-9-23-24-15-25(31)29(33)16-20(30)10-11-27(29,5)28(24,32)13-12-26(22,23)4/h15,17-23,30,32-33H,6-14,16H2,1-5H3/t17-,18-,19+,20+,21-,22-,23+,26-,27-,28-,29+/m1/s1
InChIKey DJTPDRQBXVXHCC-MNOAUWTESA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECGdTQ9hqoE
Name TOPSENTISTEROL_C1;(24-R,25-R,27-R)-3-BETA,5-ALPHA,9-ALPHA-TRIHYDROXY-26,27-CYCLO-24,27-DIMETHYLCHOLEST-7-EN-6-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-17(21-14-19(21)3)6-7-18(2)22-8-9-23-24-15-25(31)29(33)16-20(30)10-11-27(29,5)28(24,32)13-12-26(22,23)4/h15,17-23,30,32-33H,6-14,16H2,1-5H3/t17-,18-,19+,20+,21-,22-,23+,26-,27-,28-,29+/m1/s1
InChIKey DJTPDRQBXVXHCC-MNOAUWTESA-N
Literature Reference Author X.LUO,F.LI,P.B.SHINDE,J.HONG,C.O.LEE,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,69,1760(2006)
Literature Reference DOI 10.1021/np0604026
Molecular Weight 458.682 g/mol
Solvent CD3OD
Source File Reference UWMZ17634