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CIMIGENOL-3-ONE
SpectraBase Compound ID A7tcgGhQ2Mr
InChI InChI=1S/C30H46O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-19,21-23,32-33H,8-15H2,1-7H3/t16-,17-,18+,19+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1
InChIKey JFTOWADKDXNJHZ-OTEZEVKPSA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IycscKrz9Dr
Name 24-EPI-CIMIGENOL-3-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-19,21-23,32-33H,8-15H2,1-7H3/t16-,17-,18+,19+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1
InChIKey JFTOWADKDXNJHZ-OTEZEVKPSA-N
Literature Reference Author L.LU,J.C.CHEN,Y.LI,C.QING,Y.Y.WANG,Y.NIAN,M.H.QIU
Literature Reference Citation CHEM.PHARM.BULL.,60,571(2012)
Literature Reference DOI 10.1248/cpb.60.571
Molecular Weight 486.692 g/mol
Source File Reference UWBT4345