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2-BETA,3-ALPHA-EPITAONDIOL
SpectraBase Compound ID 1W2dcGR04lS
InChI InChI=1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20-,21+,22-,25-,26-,27+/m0/s1
InChIKey LRMHPGVONLYGQD-XFNQIGALSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHdtDnOnMQH
Name 2-BETA,3-ALPHA-EPITAONDIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20-,21+,22-,25-,26-,27+/m0/s1
InChIKey LRMHPGVONLYGQD-XFNQIGALSA-N
Literature Reference Author O.M.M.SABRY,S.ANDREWS,K.L.MCPHAIL,D.E.GOEGER,A.YOKOCHI,K.T.L EPAGE,T.F.MURRAY,W.H
Literature Reference Citation J.NAT.PROD.,68,1022(2005)
Literature Reference DOI 10.1021/np050051f
Molecular Weight 412.613 g/mol
Solvent C5D5N
Source File Reference UWMZ12081