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#21;CYNANCHOGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D
SpectraBase Compound ID 1HcJBZyvrwD
InChI InChI=1S/C70H114O24/c1-34(2)35(3)25-54(72)89-53-33-52-67(11)22-20-44(26-43(67)19-23-69(52,74)70(75)24-21-45(36(4)71)68(53,70)12)88-55-28-47(77-14)62(38(6)83-55)91-57-30-49(79-16)64(40(8)85-57)93-59-32-51(81-18)66(42(10)87-59)94-60-31-50(80-17)65(41(9)86-60)92-58-29-48(78-15)63(39(7)84-58)90-56-27-46(76-13)61(73)37(5)82-56/h19,25,34,37-42,44-53,55-66,73-75H,20-24,26-33H2,1-18H3/b35-25+/t37-,38+,39+,40-,41-,42+,44-,45-,46+,47-,48-,49+,50-,51+,52+,53+,55-,56+,57+,58-,59-,60+,61-,62+,63+,64-,65-,66+,67-,68-,69-,70+/m0/s1
InChIKey QSDOQVOCWSQFKY-YDJMCAEKSA-N
Mol Weight 1339.7 g/mol
Molecular Formula C70H114O24
Exact Mass 1338.770005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBtJnNOdstl
Name #21;CYNANCHOGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H114O24
InChI InChI=1S/C70H114O24/c1-34(2)35(3)25-54(72)89-53-33-52-67(11)22-20-44(26-43(67)19-23-69(52,74)70(75)24-21-45(36(4)71)68(53,70)12)88-55-28-47(77-14)62(38(6)83-55)91-57-30-49(79-16)64(40(8)85-57)93-59-32-51(81-18)66(42(10)87-59)94-60-31-50(80-17)65(41(9)86-60)92-58-29-48(78-15)63(39(7)84-58)90-56-27-46(76-13)61(73)37(5)82-56/h19,25,34,37-42,44-53,55-66,73-75H,20-24,26-33H2,1-18H3/b35-25+/t37-,38+,39+,40-,41-,42+,44-,45-,46+,47-,48-,49+,50-,51+,52+,53+,55-,56+,57+,58-,59-,60+,61-,62+,63+,64-,65-,66+,67-,68-,69-,70+/m0/s1
InChIKey QSDOQVOCWSQFKY-YDJMCAEKSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,44,358(1996)
Literature Reference DOI 10.1248/cpb.44.358
Molecular Weight 1339.661 g/mol
Solvent CDCl3
Source File Reference UWLU31475