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7-BETA,8-ALPHA,9-ALPHA-TRIHYDROXYLONGIPINAN-1-ONE-1-ETHYL-ENEKETAL-7,8-DIANGELATE
SpectraBase Compound ID AA7GQOgnIHd
InChI InChI=1S/C28H42O9S/c1-10-15(3)24(29)35-20-22(36-25(30)16(4)11-2)26(6,7)19-18-17(5)14-28(33-12-13-34-28)21(19)27(18,8)23(20)37-38(9,31)32/h10-11,17-23H,12-14H2,1-9H3/b15-10-,16-11-/t17-,18-,19-,20-,21+,22-,23-,27+/m1/s1
InChIKey ULTGJLJKPREXKK-QBNGOLFWSA-N
Mol Weight 554.7 g/mol
Molecular Formula C28H42O9S
Exact Mass 554.254954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYhuhgUulCw
Name 7-BETA,8-ALPHA,9-ALPHA-TRIHYDROXYLONGIPINAN-1-ONE-1-ETHYL-ENEKETAL-7,8-DIANGELATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O9S
InChI InChI=1S/C28H42O9S/c1-10-15(3)24(29)35-20-22(36-25(30)16(4)11-2)26(6,7)19-18-17(5)14-28(33-12-13-34-28)21(19)27(18,8)23(20)37-38(9,31)32/h10-11,17-23H,12-14H2,1-9H3/b15-10-,16-11-/t17-,18-,19-,20-,21+,22-,23-,27+/m1/s1
InChIKey ULTGJLJKPREXKK-QBNGOLFWSA-N
Literature Reference Author L.U.ROMAN,L.G.ZEPEDA,N.R.MORALES,S.FLORES,J.D.HERNANDEZ,C.M. CERDA-GARCIA-ROJAS,P
Literature Reference Citation J.NAT.PROD.,59,391(1996)
Literature Reference DOI 10.1021/np960072x
Molecular Weight 554.696 g/mol
Solvent CDCl3
Source File Reference UWVP2426