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ONCHIDIN-B;CYCLO-[(R)-MEVAL-(R,R)-HYMO-(S)-PRO-(S,S)-HMP-(S)-HIV-(R)-MEVAL-(R,R)-HYMO-(R)-PRO-(S,S)-HMP-(S)-HIV]
SpectraBase Compound ID AwbjMuYGSV7
InChI InChI=1S/C62H96N4O16/c1-19-23-25-31-45-41(15)53(67)63(17)47(35(5)6)59(73)79-49(37(9)10)61(75)82-52(40(14)22-4)56(70)66-34-28-30-44(66)58(72)78-46(32-26-24-20-2)42(16)54(68)64(18)48(36(7)8)60(74)80-50(38(11)12)62(76)81-51(39(13)21-3)55(69)65-33-27-29-43(65)57(71)77-45/h1-2,35-52H,21-34H2,3-18H3/t39-,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+/m1/s1
InChIKey HEZRLDHSOUHALP-BBDBDPEISA-N
Mol Weight 1153.5 g/mol
Molecular Formula C62H96N4O16
Exact Mass 1152.682133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7ARZL7AU5J
Name ONCHIDIN-B;CYCLO-[(R)-MEVAL-(R,R)-HYMO-(S)-PRO-(S,S)-HMP-(S)-HIV-(R)-MEVAL-(R,R)-HYMO-(R)-PRO-(S,S)-HMP-(S)-HIV]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H96N4O16
InChI InChI=1S/C62H96N4O16/c1-19-23-25-31-45-41(15)53(67)63(17)47(35(5)6)59(73)79-49(37(9)10)61(75)82-52(40(14)22-4)56(70)66-34-28-30-44(66)58(72)78-46(32-26-24-20-2)42(16)54(68)64(18)48(36(7)8)60(74)80-50(38(11)12)62(76)81-51(39(13)21-3)55(69)65-33-27-29-43(65)57(71)77-45/h1-2,35-52H,21-34H2,3-18H3/t39-,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+/m1/s1
InChIKey HEZRLDHSOUHALP-BBDBDPEISA-N
Literature Reference Author R.FERNANDEZ,J.RODRIGUEZ,E.QUINOA,R.RIGUERA,L.MUNOZ,M.FERNAND EZ-SUAREZ,C.DEBITUS
Literature Reference Citation J.AM.CHEM.SOC.,118,11635(1996)
Literature Reference DOI 10.1021/ja961314i
Molecular Weight 1153.461 g/mol
Sample ID 35535
Solvent CDCl3