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KAHALALIDE_R
SpectraBase Compound ID 7sPmVNe44XX
InChI InChI=1S/C77H126N14O17/c1-19-47(17)63(74(104)90-64-48(18)108-77(107)62(46(15)16)88-65(95)50(20-2)80-68(98)53(39-49-30-24-22-25-31-49)82-70(100)57(41(5)6)84-72(102)59(43(9)10)86-75(64)105)89-66(96)51(32-27-37-78)81-69(99)54-33-28-38-91(54)76(106)61(45(13)14)87-73(103)60(44(11)12)85-71(101)58(42(7)8)83-67(97)52(35-36-56(93)94)79-55(92)34-26-21-23-29-40(3)4/h20,22,24-25,30-31,40-48,51-54,57-64H,19,21,23,26-29,32-39,78H2,1-18H3,(H,79,92)(H,80,98)(H,81,99)(H,82,100)(H,83,97)(H,84,102)(H,85,101)(H,86,105)(H,87,103)(H,88,95)(H,89,96)(H,90,104)(H,93,94)/b50-20-/t47?,48?,51-,52+,53+,54-,57?,58?,59?,60?,61?,62?,63-,64-/m1/s1
InChIKey NEPVMCVSNSCONF-VKGMIRQRSA-N
Mol Weight 1519.9 g/mol
Molecular Formula C77H126N14O17
Exact Mass 1518.942539 g/mol
Enantiomer InChIKey NEPVMCVSNSCONF-XLDPABGUSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Kahalalide Derivatives from the Indian Sacoglossan Mollusk Elysia grandifolia Journal of Natural Products 2006

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