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7-OXOPETROSTEROL;26,27-CYCLO-24,27-DIMETHYL-3-BETA-HYDROXYCHOLEST-5-EN-7-ONE
SpectraBase Compound ID 2neGnz1ONxw
InChI InChI=1S/C29H46O2/c1-17(22-14-19(22)3)6-7-18(2)23-8-9-24-27-25(11-13-29(23,24)5)28(4)12-10-21(30)15-20(28)16-26(27)31/h16-19,21-25,27,30H,6-15H2,1-5H3/t17?,18?,19-,21+,22+,23-,24?,25?,27?,28+,29-/m1/s1
InChIKey MDEVBHGFFDDBHC-IIYNUAKMSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9F2t8ddrNyo
Name 7-OXOPETROSTEROL;26,27-CYCLO-24,27-DIMETHYL-3-BETA-HYDROXYCHOLEST-5-EN-7-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-17(22-14-19(22)3)6-7-18(2)23-8-9-24-27-25(11-13-29(23,24)5)28(4)12-10-21(30)15-20(28)16-26(27)31/h16-19,21-25,27,30H,6-15H2,1-5H3/t17?,18?,19-,21+,22+,23-,24?,25?,27?,28+,29-/m1/s1
InChIKey MDEVBHGFFDDBHC-IIYNUAKMSA-N
Literature Reference Author A.UMEYAMA,S.ITO,A.YOSHIGAKI,S.ARIHARA
Literature Reference Citation J.NAT.PROD.,63,1540(2000)
Literature Reference DOI 10.1021/np0002738
Molecular Weight 426.683 g/mol
Solvent CDCl3
Source File Reference UWRU8637