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12-DEOXYISODOMEDIN_ACETONIDE;1-ALPHA,7-ALPHA,12-ALPHA,14-BETA-TETRAHYDROXY-3-BETA-ACETOXY-ENT-KAUR-16-EN-15-ONE_7,14-ACETONIDE
SpectraBase Compound ID 6fbadbJDOAy
InChI InChI=1S/C25H36O7/c1-11-19-13(27)8-15-24(7)14(22(3,4)17(10-16(24)28)30-12(2)26)9-18-25(15,20(11)29)21(19)32-23(5,6)31-18/h13-19,21,27-28H,1,8-10H2,2-7H3/t13-,14+,15-,16-,17-,18+,19+,21+,24+,25-/m0/s1
InChIKey OLLKCMZKPBNIBR-SDUVFMADSA-N
Mol Weight 448.6 g/mol
Molecular Formula C25H36O7
Exact Mass 448.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6h0rh68sWQ
Name 12-DEOXYISODOMEDIN_ACETONIDE;1-ALPHA,7-ALPHA,12-ALPHA,14-BETA-TETRAHYDROXY-3-BETA-ACETOXY-ENT-KAUR-16-EN-15-ONE_7,14-ACETONIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O7
InChI InChI=1S/C25H36O7/c1-11-19-13(27)8-15-24(7)14(22(3,4)17(10-16(24)28)30-12(2)26)9-18-25(15,20(11)29)21(19)32-23(5,6)31-18/h13-19,21,27-28H,1,8-10H2,2-7H3/t13-,14+,15-,16-,17-,18+,19+,21+,24+,25-/m0/s1
InChIKey OLLKCMZKPBNIBR-SDUVFMADSA-N
Literature Reference Author Y.ZHAO,J.X.PU,S.X.HUANG,L.S.DING,Y.L.WU,X.LI,L.B.YANG,W.L.XI AO,G.Q.CHEN,H.D.SUN
Literature Reference Citation J.NAT.PROD.,72,988(2009)
Literature Reference DOI 10.1021/np9000366
Molecular Weight 448.557 g/mol
Sample ID 32663
Solvent ACETONE-D6