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#5;N-[2-[[3,17-DIHYDROXY-4-[[2-[1-(4-HYDROXYPHENYL)-VINYLAMINO]-ETHYLIMINO]-METHYL]-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA-[A]-PHENANTHRE
SpectraBase Compound ID JceYQeKoYXc
InChI InChI=1S/C38H44N4O6/c1-38-15-14-29-30(33(38)12-13-34(38)45)11-10-28-31(29)20-25(21-39-16-18-41-36(47)23-2-6-26(43)7-3-23)35(46)32(28)22-40-17-19-42-37(48)24-4-8-27(44)9-5-24/h2-9,20-22,29-30,33-34,43-46H,10-19H2,1H3,(H,41,47)(H,42,48)/b39-21+,40-22-/t29?,30?,33?,34?,38-/m0/s1
InChIKey VHUBVRNSGOHRGT-QMFSBUHFSA-N
Mol Weight 652.8 g/mol
Molecular Formula C38H44N4O6
Exact Mass 652.326085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNFLYPRfTlJ
Name #5;N-[2-[[3,17-DIHYDROXY-4-[[2-[1-(4-HYDROXYPHENYL)-VINYLAMINO]-ETHYLIMINO]-METHYL]-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA-[A]-PHENANTHRE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44N4O6
InChI InChI=1S/C38H44N4O6/c1-38-15-14-29-30(33(38)12-13-34(38)45)11-10-28-31(29)20-25(21-39-16-18-41-36(47)23-2-6-26(43)7-3-23)35(46)32(28)22-40-17-19-42-37(48)24-4-8-27(44)9-5-24/h2-9,20-22,29-30,33-34,43-46H,10-19H2,1H3,(H,41,47)(H,42,48)/b39-21+,40-22-/t29?,30?,33?,34?,38-/m0/s1
InChIKey VHUBVRNSGOHRGT-QMFSBUHFSA-N
Literature Reference Author L.FIGUEROA-VALVERDE,F.DIAZ-CEDILLO,E.GARCIA-CERVERA,E.P.GOME Z,M.ROSAS-NEXTICAPA,
Literature Reference Citation ORIENT.J.CHEM.,29,465(2013)
Molecular Weight 652.791 g/mol
Sample ID 73288
Solvent CDCl3