SpectraBase Compound ID | 8HQqowT7GdB |
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InChI | InChI=1S/C80H136O20/c1-47-25-31-59(89-13)39-61-21-19-23-63(97-61)43-73(93-17)54(8)70(82)46-72(84)56(10)80(58(12)78(88)50(4)30-34-66-42-68(92-16)38-52(6)96-66)100-76(86)36-28-48(2)26-32-60(90-14)40-62-22-20-24-64(98-62)44-74(94-18)53(7)69(81)45-71(83)55(9)79(99-75(85)35-27-47)57(11)77(87)49(3)29-33-65-41-67(91-15)37-51(5)95-65/h19-22,25-28,35-36,49-74,77-84,87-88H,23-24,29-34,37-46H2,1-18H3/b35-27+,36-28+,47-25+,48-26+/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72+,73-,74-,77-,78-,79-,80-/m0/s1 |
InChIKey | ATFQKCHYBNBACS-ORFCFGNYSA-N |
Mol Weight | 1417.9 g/mol |
Molecular Formula | C80H136O20 |
Exact Mass | 1416.962497 g/mol |
SpectraBase Spectrum ID | 3lhXKMy9uNg |
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Name | SWINHOLIDE-H |
Compound Number | 7 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C80H136O20 |
InChI | InChI=1S/C80H136O20/c1-47-25-31-59(89-13)39-61-21-19-23-63(97-61)43-73(93-17)54(8)70(82)46-72(84)56(10)80(58(12)78(88)50(4)30-34-66-42-68(92-16)38-52(6)96-66)100-76(86)36-28-48(2)26-32-60(90-14)40-62-22-20-24-64(98-62)44-74(94-18)53(7)69(81)45-71(83)55(9)79(99-75(85)35-27-47)57(11)77(87)49(3)29-33-65-41-67(91-15)37-51(5)95-65/h19-22,25-28,35-36,49-74,77-84,87-88H,23-24,29-34,37-46H2,1-18H3/b35-27+,36-28+,47-25+,48-26+/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72+,73-,74-,77-,78-,79-,80-/m0/s1 |
InChIKey | ATFQKCHYBNBACS-ORFCFGNYSA-N |
Literature Reference Author | E.J.DUMDEI,J.W.BLUNT,M.H.G.MUNRO,L.K.PANNELL |
Literature Reference Citation | J.ORG.CHEM.,62,2636(1997) |
Literature Reference DOI | 10.1021/jo961745j |
Molecular Weight | 1417.948 g/mol |
Solvent | CDCl3 |
Source File Reference | UWCP8145 |