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THEONELLAMIDE-D
SpectraBase Compound ID 7Yw4fKIV5cG
InChI InChI=1S/C74H95Br2N16O26/c1-34(8-9-36-10-14-39(75)15-11-36)20-52(98)43-27-57(102)82-50(30-93)69(112)87-49-29-91-28-41(92(33-91)73-62(105)60(103)53(32-95)118-73)23-46(66(109)89-58(35(2)96)71(114)88-51(31-94)70(113)84-45(65(108)83-43)21-37-6-4-3-5-7-37)80-56(101)25-42(97)24-48(74(116)117)81-55(100)18-19-79-64(107)44(22-38-12-16-40(76)17-13-38)86-72(115)59(61(104)63(78)106)90-67(110)47(26-54(77)99)85-68(49)111/h3-17,20,28,33,35,42-53,58-62,73,93-98,103-105H,18-19,21-27,29-32H2,1-2H3,(H2,77,99)(H2,78,106)(H,79,107)(H,80,101)(H,81,100)(H,82,102)(H,83,108)(H,84,113)(H,85,111)(H,86,115)(H,87,112)(H,88,114)(H,89,109)(H,90,110)(H,116,117)/b9-8+,34-20+/t35-,42-,43+,44+,45+,46+,47+,48+,49-,50+,51+,52+,53?,58+,59+,60?,61-,62?,73?/m1/s1
InChIKey XVMAATXGHMAQKC-OWAHTZLTSA-N
Mol Weight 1784.5 g/mol
Molecular Formula C74H95Br2N16O26
Exact Mass 1781.497018 g/mol
Enantiomer InChIKey XVMAATXGHMAQKC-OJPXKTIZSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6:H2O=4:1
Title Journal or Book Year
Theonellamides A-E, cytotoxic bicyclic peptides, from a marine sponge Theonella sp. The Journal of Organic Chemistry 1995

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