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LOLOATIN-A;CYClIC-(L-ASPARAGINYL-L-ASPARTYL-L-TYROSYL-L-VALYL-L-ORNITHINYL-L-LEUCYL-D-TYROSYL-L-PROLYL-L-PHENYLALANYL-D-PHENYLALANYL)
SpectraBase Compound ID 8QfY5Fb7dqH
InChI InChI=1S/C65H84N12O15/c1-36(2)29-45-57(84)75-51(33-41-21-25-43(79)26-22-41)65(92)77-28-12-18-52(77)63(90)74-47(31-39-15-9-6-10-16-39)59(86)70-46(30-38-13-7-5-8-14-38)58(85)72-49(34-53(67)80)60(87)73-50(35-54(81)82)61(88)71-48(32-40-19-23-42(78)24-20-40)62(89)76-55(37(3)4)64(91)68-44(17-11-27-66)56(83)69-45/h5-10,13-16,19-26,36-37,44-52,55,78-79H,11-12,17-18,27-35,66H2,1-4H3,(H2,67,80)(H,68,91)(H,69,83)(H,70,86)(H,71,88)(H,72,85)(H,73,87)(H,74,90)(H,75,84)(H,76,89)(H,81,82)/t44-,45+,46+,47+,48+,49+,50+,51-,52+,55+/m1/s1
InChIKey OSZSVIMATNAOIP-QILLSVSQSA-N
Mol Weight 1273.5 g/mol
Molecular Formula C65H84N12O15
Exact Mass 1272.61791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EwNZVsUo9eE
Name LOLOATIN-A;CYClIC-(L-ASPARAGINYL-L-ASPARTYL-L-TYROSYL-L-VALYL-L-ORNITHINYL-L-LEUCYL-D-TYROSYL-L-PROLYL-L-PHENYLALANYL-D-PHENYLALANYL)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H84N12O15
InChI InChI=1S/C65H84N12O15/c1-36(2)29-45-57(84)75-51(33-41-21-25-43(79)26-22-41)65(92)77-28-12-18-52(77)63(90)74-47(31-39-15-9-6-10-16-39)59(86)70-46(30-38-13-7-5-8-14-38)58(85)72-49(34-53(67)80)60(87)73-50(35-54(81)82)61(88)71-48(32-40-19-23-42(78)24-20-40)62(89)76-55(37(3)4)64(91)68-44(17-11-27-66)56(83)69-45/h5-10,13-16,19-26,36-37,44-52,55,78-79H,11-12,17-18,27-35,66H2,1-4H3,(H2,67,80)(H,68,91)(H,69,83)(H,70,86)(H,71,88)(H,72,85)(H,73,87)(H,74,90)(H,75,84)(H,76,89)(H,81,82)/t44-,45+,46+,47+,48+,49+,50+,51-,52+,55+/m1/s1
InChIKey OSZSVIMATNAOIP-QILLSVSQSA-N
Literature Reference Author J.M.GERARD,P.HADEN,M.T.KELLY,R.J.ANDERSEN
Literature Reference Citation J.NAT.PROD.,62,80(1999)
Literature Reference DOI 10.1021/np980219f
Molecular Weight 1273.453 g/mol
Solvent DMSO-D6
Source File Reference UWCS19124