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(1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetoxy-7-[(3-hydroxy-5-keto-tetrahydrofuran-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 KEfv8ut1Rzt
InChI InChI=1S/C25H38O7/c1-15(26)32-20-16-6-7-18-23(3,9-5-10-24(18,4)21(28)29)17(16)8-11-22(20,2)13-25(30)12-19(27)31-14-25/h16-18,20,30H,5-14H2,1-4H3,(H,28,29)/t16-,17+,18-,20+,22-,23-,24-,25?/m1/s1
InChIKey BIXPPSSCYPEQID-BFSXEYKHSA-N
Mol Weight 450.6 g/mol
Molecular Formula C25H38O7
Exact Mass 450.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JF4Z1ZQYafG
Name (1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetoxy-7-[(3-hydroxy-5-keto-tetrahydrofuran-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 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O7
InChI InChI=1S/C25H38O7/c1-15(26)32-20-16-6-7-18-23(3,9-5-10-24(18,4)21(28)29)17(16)8-11-22(20,2)13-25(30)12-19(27)31-14-25/h16-18,20,30H,5-14H2,1-4H3,(H,28,29)/t16-,17+,18-,20+,22-,23-,24-,25?/m1/s1
InChIKey BIXPPSSCYPEQID-BFSXEYKHSA-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 450.573 g/mol
Solvent CDCl3
Source File Reference UWCS16182