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BISISORHIZOPODIN;(E)-ISOMER

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BISISORHIZOPODIN;(E)-ISOMER
SpectraBase Compound ID E10EQcX3j2p
InChI InChI=1S/C78H124N4O22/c1-51(33-35-61(87)53(3)63(95-13)31-25-37-81(9)49-83)67(99-17)43-69(89)77(5,6)71-45-73-79-59(47-101-73)65(97-15)29-23-19-22-28-58(94-12)40-56(86)42-76(92)104-72(46-74-80-60(48-102-74)66(98-16)30-24-20-21-27-57(93-11)39-55(85)41-75(91)103-71)78(7,8)70(90)44-68(100-18)52(2)34-36-62(88)54(4)64(96-14)32-26-38-82(10)50-84/h19-28,37-38,47-58,63-72,85-86,89-90H,29-36,39-46H2,1-18H3/b23-19+,24-20+,27-21+,28-22+,37-25+,38-26+
InChIKey HFHQQMWRBGWMPN-CJYIFGLFSA-N
Mol Weight 1469.9 g/mol
Molecular Formula C78H124N4O22
Exact Mass 1468.870722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJqY5oz81Vt
Name BISISORHIZOPODIN;(E)-ISOMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H124N4O22
InChI InChI=1S/C78H124N4O22/c1-51(33-35-61(87)53(3)63(95-13)31-25-37-81(9)49-83)67(99-17)43-69(89)77(5,6)71-45-73-79-59(47-101-73)65(97-15)29-23-19-22-28-58(94-12)40-56(86)42-76(92)104-72(46-74-80-60(48-102-74)66(98-16)30-24-20-21-27-57(93-11)39-55(85)41-75(91)103-71)78(7,8)70(90)44-68(100-18)52(2)34-36-62(88)54(4)64(96-14)32-26-38-82(10)50-84/h19-28,37-38,47-58,63-72,85-86,89-90H,29-36,39-46H2,1-18H3/b23-19+,24-20+,27-21+,28-22+,37-25+,38-26+
InChIKey HFHQQMWRBGWMPN-CJYIFGLFSA-N
Literature Reference Author N.OKU,A.MATSUMOTO,T.MATSUNAGA,Y.ASANO,H.KASAI,S.MATOBA,Y.IGA RASHI
Literature Reference Citation CHEM.PHARM.BULL.,62,294(2014)
Literature Reference DOI 10.1248/cpb.c13-00856
Molecular Weight 1469.856 g/mol
Solvent CD3OD
Source File Reference UWBT14094