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SULFINYLTHEONELLAPEPTOLIDE
SpectraBase Compound ID 1IcJOcTcn6w
InChI InChI=1S/C69H123N13O16S/c1-25-43(15)58-63(90)72-32-29-52(85)75-55(41(11)12)67(94)80(21)57(42(13)14)68(95)78(19)45(17)60(87)70-30-27-50(83)74-48(34-38(5)6)65(92)82(23)59(44(16)26-2)69(96)98-46(18)56(62(89)71-31-28-51(84)73-47(33-37(3)4)64(91)81(58)22)77-61(88)49(35-39(7)8)79(20)66(93)54(40(9)10)76-53(86)36-99(24)97/h37-49,54-59H,25-36H2,1-24H3,(H,70,87)(H,71,89)(H,72,90)(H,73,84)(H,74,83)(H,75,85)(H,76,86)(H,77,88)/t43-,44-,45-,46+,47+,48+,49+,54-,55+,56-,57-,58-,59+,99?/m0/s1
InChIKey UQSBMLIEBAVHPW-RREFXRMKSA-N
Mol Weight 1422.9 g/mol
Molecular Formula C69H123N13O16S
Exact Mass 1421.893146 g/mol
Enantiomer InChIKey UQSBMLIEBAVHPW-JFOIHKBGSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
New tridecapeptides of the theonellapeptolide family from the Indonesian sponge Theonella swinhoei Beilstein Journal of Organic Chemistry 2013

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