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CLICININ_D4
SpectraBase Compound ID GoVqZNGQsvl
InChI InChI=1S/C63H115N11O13/c1-17-20-21-22-25-41(8)35-48(54(81)67-47(33-40(6)7)55(82)71-61(11,12)58(85)69-46(32-39(4)5)53(80)65-28-27-51(78)66-43(10)38-64-29-31-75)70-59(86)62(13,14)73-60(87)63(15,16)72-56(83)49(36-42(9)34-45(77)37-44(76)19-3)68-57(84)50-26-23-30-74(50)52(79)24-18-2/h39-43,45-50,64,75,77H,17-38H2,1-16H3,(H,65,80)(H,66,78)(H,67,81)(H,68,84)(H,69,85)(H,70,86)(H,71,82)(H,72,83)(H,73,87)/t41?,42?,43?,45?,46-,47+,48-,49+,50-/m0/s1
InChIKey CFLQJUVAEKRCNF-BXFSROTQSA-N
Mol Weight 1234.7 g/mol
Molecular Formula C63H115N11O13
Exact Mass 1233.867583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnqKL63kvWG
Name CLICININ_D4
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H115N11O13
InChI InChI=1S/C63H115N11O13/c1-17-20-21-22-25-41(8)35-48(54(81)67-47(33-40(6)7)55(82)71-61(11,12)58(85)69-46(32-39(4)5)53(80)65-28-27-51(78)66-43(10)38-64-29-31-75)70-59(86)62(13,14)73-60(87)63(15,16)72-56(83)49(36-42(9)34-45(77)37-44(76)19-3)68-57(84)50-26-23-30-74(50)52(79)24-18-2/h39-43,45-50,64,75,77H,17-38H2,1-16H3,(H,65,80)(H,66,78)(H,67,81)(H,68,84)(H,69,85)(H,70,86)(H,71,82)(H,72,83)(H,73,87)/t41?,42?,43?,45?,46-,47+,48-,49+,50-/m0/s1
InChIKey CFLQJUVAEKRCNF-BXFSROTQSA-N
Literature Reference Author H.HE,J.E.JANSO,H.Y.YANG,V.S.BERNAN,S.L.LIN,K.YU
Literature Reference Citation J.NAT.PROD.,69,736(2006)
Literature Reference DOI 10.1021/np058133r
Molecular Weight 1234.672 g/mol
Solvent C6D6
Source File Reference UWMZ18335