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#1;REL-(1R,4A-R,5R,8R)-METHYL-7-(1-(METHOXYCARBONYL)-VINYL)-5,8-DIACETOXY-1,2,3,4A,5,6,7,8,9,10,10A-DODECAHYDRO-1,4A-DIMETHYL-2-OXOPHENANTHRENE-1-CARBOXYLATE

View entire compound with spectra: 1 NMR

#1;REL-(1R,4A-R,5R,8R)-METHYL-7-(1-(METHOXYCARBONYL)-VINYL)-5,8-DIACETOXY-1,2,3,4A,5,6,7,8,9,10,10A-DODECAHYDRO-1,4A-DIMETHYL-2-OXOPHENANTHRENE-1-CARBOXYLATE
SpectraBase Compound ID 7nzgPBgxfwi
InChI InChI=1S/C26H34O9/c1-13(23(30)32-6)17-12-18(34-14(2)27)21-16(22(17)35-15(3)28)8-9-19-25(21,4)11-10-20(29)26(19,5)24(31)33-7/h17-19,22H,1,8-12H2,2-7H3/t17-,18+,19+,22+,25-,26-/m1/s1
InChIKey OTERBTMTWQHNQT-ACZRPJQJSA-N
Mol Weight 490.5 g/mol
Molecular Formula C26H34O9
Exact Mass 490.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AExw7uu7PP7
Name #1;REL-(1R,4A-R,5R,8R)-METHYL-7-(1-(METHOXYCARBONYL)-VINYL)-5,8-DIACETOXY-1,2,3,4A,5,6,7,8,9,10,10A-DODECAHYDRO-1,4A-DIMETHYL-2-OXOPHENANTHRENE-1-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34O9
InChI InChI=1S/C26H34O9/c1-13(23(30)32-6)17-12-18(34-14(2)27)21-16(22(17)35-15(3)28)8-9-19-25(21,4)11-10-20(29)26(19,5)24(31)33-7/h17-19,22H,1,8-12H2,2-7H3/t17-,18+,19+,22+,25-,26-/m1/s1
InChIKey OTERBTMTWQHNQT-ACZRPJQJSA-N
Literature Reference Author H.S.SANTOS,F.W.A.BARROS,M.R.J.R.ALBUQUERQUE,P.N.BANDEIRA,C.P ESSOA,R.BRAZ-FILHO,F
Literature Reference Citation J.NAT.PROD.,72,1884(2009)
Literature Reference DOI 10.1021/np900250k
Molecular Weight 490.551 g/mol
Sample ID 33761
Solvent CDCl3