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NEOALSOSIDE-A;#9;20S,24S-EPOXY-3-BETA,12-BETA,23S,25-TETRAHYDROXY-DAMMARANE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSY
SpectraBase Compound ID JCmN6kEmkPZ
InChI InChI=1S/C48H82O18/c1-20-30(52)33(55)35(57)40(60-20)64-37-32(54)25(19-49)62-42(38(37)65-41-36(58)34(56)31(53)21(2)61-41)63-28-13-14-45(7)26(43(28,3)4)12-16-46(8)27(45)17-23(50)29-22(11-15-47(29,46)9)48(10)18-24(51)39(66-48)44(5,6)59/h20-42,49-59H,11-19H2,1-10H3/t20-,21+,22-,23+,24+,25+,26?,27?,28-,29?,30-,31+,32+,33+,34-,35+,36-,37-,38+,39-,40-,41+,42-,45-,46+,47+,48+/m0/s1
InChIKey KFIUIESFCPQQCY-GERIHVQQSA-N
Mol Weight 947.2 g/mol
Molecular Formula C48H82O18
Exact Mass 946.550116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ionzhzbmo18
Name NEOALSOSIDE-A;#9;20S,24S-EPOXY-3-BETA,12-BETA,23S,25-TETRAHYDROXY-DAMMARANE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H82O18
InChI InChI=1S/C48H82O18/c1-20-30(52)33(55)35(57)40(60-20)64-37-32(54)25(19-49)62-42(38(37)65-41-36(58)34(56)31(53)21(2)61-41)63-28-13-14-45(7)26(43(28,3)4)12-16-46(8)27(45)17-23(50)29-22(11-15-47(29,46)9)48(10)18-24(51)39(66-48)44(5,6)59/h20-42,49-59H,11-19H2,1-10H3/t20-,21+,22-,23+,24+,25+,26?,27?,28-,29?,30-,31+,32+,33+,34-,35+,36-,37-,38+,39-,40-,41+,42-,45-,46+,47+,48+/m0/s1
InChIKey KFIUIESFCPQQCY-GERIHVQQSA-N
Literature Reference Author S.FUJITA,R.KASAI,K.OHTANI,K.YAMASAKI,M.H.CHIU,R.L.NIE,O.TANA KA
Literature Reference Citation PHYTOCHEM.,38,465(1995)
Literature Reference DOI 10.1016/0031-9422(94)00608-V
Molecular Weight 947.168 g/mol
Solvent C5D5N
Source File Reference UWMS4788