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(1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetoxy-7-[2-(acetoxymethyl)-4-ethoxy-2-hydroxy-4-keto-butyl]-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR

(1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetoxy-7-[2-(acetoxymethyl)-4-ethoxy-2-hydroxy-4-keto-butyl]-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 L6rjgbEqMnR
InChI InChI=1S/C30H48O9/c1-8-37-24(33)16-30(35,18-38-19(2)31)17-27(4)15-12-22-21(25(27)39-20(3)32)10-11-23-28(22,5)13-9-14-29(23,6)26(34)36-7/h21-23,25,35H,8-18H2,1-7H3/t21-,22+,23-,25+,27-,28-,29-,30?/m1/s1
InChIKey LJKDHPRONSEPFQ-JASOMGGSSA-N
Mol Weight 552.7 g/mol
Molecular Formula C30H48O9
Exact Mass 552.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CExR0quWz6m
Name (1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetoxy-7-[2-(acetoxymethyl)-4-ethoxy-2-hydroxy-4-keto-butyl]-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O9
InChI InChI=1S/C30H48O9/c1-8-37-24(33)16-30(35,18-38-19(2)31)17-27(4)15-12-22-21(25(27)39-20(3)32)10-11-23-28(22,5)13-9-14-29(23,6)26(34)36-7/h21-23,25,35H,8-18H2,1-7H3/t21-,22+,23-,25+,27-,28-,29-,30?/m1/s1
InChIKey LJKDHPRONSEPFQ-JASOMGGSSA-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 552.706 g/mol
Solvent CDCl3
Source File Reference UWCS16174