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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 methyl ester
SpectraBase Compound ID 2Lxx0Y0xx1x
InChI InChI=1S/C26H40O7/c1-16(27)33-21-17-7-8-19-24(3,10-6-11-25(19,4)22(29)31-5)18(17)9-12-23(21,2)14-26(30)13-20(28)32-15-26/h17-19,21,30H,6-15H2,1-5H3/t17-,18+,19-,21+,23-,24-,25-,26?/m1/s1
InChIKey OTKKBUVQOUXILR-AKKXPESVSA-N
Mol Weight 464.6 g/mol
Molecular Formula C26H40O7
Exact Mass 464.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wNjhXIpET1
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 methyl ester
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40O7
InChI InChI=1S/C26H40O7/c1-16(27)33-21-17-7-8-19-24(3,10-6-11-25(19,4)22(29)31-5)18(17)9-12-23(21,2)14-26(30)13-20(28)32-15-26/h17-19,21,30H,6-15H2,1-5H3/t17-,18+,19-,21+,23-,24-,25-,26?/m1/s1
InChIKey OTKKBUVQOUXILR-AKKXPESVSA-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 464.599 g/mol
Solvent CDCl3
Source File Reference UWCS16176