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20S,24S-EPOXY-25-HYDROXYAMMARAN-3-ONE;CABrALONE
SpectraBase Compound ID 1RNHSty0XZM
InChI InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19?,20-,21?,22?,24-,27-,28+,29+,30+/m0/s1
InChIKey XSQYWMLMQVUWSF-BJMOCSHISA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyFKMRcADkg
Name 20S,24S-EPOXY-25-HYDROXYAMMARAN-3-ONE;CABrALONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19?,20-,21?,22?,24-,27-,28+,29+,30+/m0/s1
InChIKey XSQYWMLMQVUWSF-BJMOCSHISA-N
Literature Reference Author A.HISHAM,M.D.A.BAI,Y.FUJIMOTO,N.HARA,H.SHIMADA
Literature Reference Citation MAGN.RES.CHEM.,34,146(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199602)34:2<146::aid-omr850>3.0.co;2-u
Molecular Weight 458.725 g/mol
Solvent CDCl3
Source File Reference UWCP2241