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(1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetoxy-7-[(5-keto-2H-furan-3-yl)methyl]-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid
SpectraBase Compound ID GEGuLZnRQ8X
InChI InChI=1S/C25H36O6/c1-15(26)31-21-17-6-7-19-24(3,9-5-10-25(19,4)22(28)29)18(17)8-11-23(21,2)13-16-12-20(27)30-14-16/h12,17-19,21H,5-11,13-14H2,1-4H3,(H,28,29)/t17-,18+,19-,21+,23-,24-,25-/m1/s1
InChIKey VBEPACWRGUFFEW-YMDBRDODSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H36O6
Exact Mass 432.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWZtiUKueyM
Name (1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetoxy-7-[(5-keto-2H-furan-3-yl)methyl]-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O6
InChI InChI=1S/C25H36O6/c1-15(26)31-21-17-6-7-19-24(3,9-5-10-25(19,4)22(28)29)18(17)8-11-23(21,2)13-16-12-20(27)30-14-16/h12,17-19,21H,5-11,13-14H2,1-4H3,(H,28,29)/t17-,18+,19-,21+,23-,24-,25-/m1/s1
InChIKey VBEPACWRGUFFEW-YMDBRDODSA-N
Literature Reference Author A.SANFELICIANO,M.MEDARDE,F.TOME,B.HEBRERO,E.CABALLERO
Literature Reference Citation MAGN.RES.CHEM.,27,1166(1989)
Literature Reference DOI 10.1002/mrc.1260271211
Molecular Weight 432.557 g/mol
Solvent CDCl3
Source File Reference UWCS16181