| SpectraBase Compound ID | 6OcGn5Yfpd4 |
|---|---|
| InChI | InChI=1S/C81H136N20O36/c1-49-65(110)69(114)73(118)77(134-49)86-61(106)5-13-82-57(102)9-21-122-29-33-126-25-17-98-37-53(90-94-98)41-130-45-81(46-131-42-54-38-99(95-91-54)18-26-127-34-30-123-22-10-58(103)83-14-6-62(107)87-78-74(119)70(115)66(111)50(2)135-78,47-132-43-55-39-100(96-92-55)19-27-128-35-31-124-23-11-59(104)84-15-7-63(108)88-79-75(120)71(116)67(112)51(3)136-79)48-133-44-56-40-101(97-93-56)20-28-129-36-32-125-24-12-60(105)85-16-8-64(109)89-80-76(121)72(117)68(113)52(4)137-80/h37-40,49-52,65-80,110-121H,5-36,41-48H2,1-4H3,(H,82,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,108)(H,89,109)/t49-,50-,51-,52-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78+,79+,80+/m1/s1 |
| InChIKey | YNFGXUKKOAHRLQ-XWWZJGNQSA-N |
| Mol Weight | 1966.1 g/mol |
| Molecular Formula | C81H136N20O36 |
| Exact Mass | 1964.942611 g/mol |
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| SpectraBase Spectrum ID | I9kcrXd0oZ2 |
|---|---|
| Name | YNFGXUKKOAHRLQ-XWWZJGNQSA-N |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H136N20O36 |
| InChI | InChI=1S/C81H136N20O36/c1-49-65(110)69(114)73(118)77(134-49)86-61(106)5-13-82-57(102)9-21-122-29-33-126-25-17-98-37-53(90-94-98)41-130-45-81(46-131-42-54-38-99(95-91-54)18-26-127-34-30-123-22-10-58(103)83-14-6-62(107)87-78-74(119)70(115)66(111)50(2)135-78,47-132-43-55-39-100(96-92-55)19-27-128-35-31-124-23-11-59(104)84-15-7-63(108)88-79-75(120)71(116)67(112)51(3)136-79)48-133-44-56-40-101(97-93-56)20-28-129-36-32-125-24-12-60(105)85-16-8-64(109)89-80-76(121)72(117)68(113)52(4)137-80/h37-40,49-52,65-80,110-121H,5-36,41-48H2,1-4H3,(H,82,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,108)(H,89,109)/t49-,50-,51-,52-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78+,79+,80+/m1/s1 |
| InChIKey | YNFGXUKKOAHRLQ-XWWZJGNQSA-N |
| Literature Reference Author | D.DOKNIC,M.ABRAMO,I.SUTKEVICIUTE,A.REINHARDT,C.GUZZI,M.K.SCH LEGEL,D.POTENZA |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,5303(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300236 |
| Molecular Weight | 1966.083 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT20549 |