| SpectraBase Compound ID | IVFvlZvCGEf |
|---|---|
| InChI | InChI=1S/C90H152O28/c1-51-25-31-69(115-89-87(107-17)85(105-15)77(95)49-109-89)43-63-21-19-23-65(113-63)45-73(103-13)40-62(92)42-76(94)58(8)84(60(10)82(100)54(4)30-34-68-48-72(102-12)38-56(6)112-68)118-80(98)36-28-52(2)26-32-70(116-90-88(108-18)86(106-16)78(96)50-110-90)44-64-22-20-24-66(114-64)46-74(104-14)39-61(91)41-75(93)57(7)83(117-79(97)35-27-51)59(9)81(99)53(3)29-33-67-47-71(101-11)37-55(5)111-67/h19-22,25-28,35-36,53-78,81-96,99-100H,23-24,29-34,37-50H2,1-18H3/b35-27+,36-28+,51-25+,52-26+/t53-,54-,55-,56-,57-,58-,59-,60+,61+,62+,63-,64+,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77-,78+,81-,82-,83-,84-,85+,86-,87+,88-,89+,90-/m0/s1 |
| InChIKey | PMOHGLKKBUNONX-MSIJPYCJSA-N |
| Mol Weight | 1682.2 g/mol |
| Molecular Formula | C90H152O28 |
| Exact Mass | 1681.047014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3YkZnuPhaO |
|---|---|
| Name | ANKARAHOLIDE-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H152O28 |
| InChI | InChI=1S/C90H152O28/c1-51-25-31-69(115-89-87(107-17)85(105-15)77(95)49-109-89)43-63-21-19-23-65(113-63)45-73(103-13)40-62(92)42-76(94)58(8)84(60(10)82(100)54(4)30-34-68-48-72(102-12)38-56(6)112-68)118-80(98)36-28-52(2)26-32-70(116-90-88(108-18)86(106-16)78(96)50-110-90)44-64-22-20-24-66(114-64)46-74(104-14)39-61(91)41-75(93)57(7)83(117-79(97)35-27-51)59(9)81(99)53(3)29-33-67-47-71(101-11)37-55(5)111-67/h19-22,25-28,35-36,53-78,81-96,99-100H,23-24,29-34,37-50H2,1-18H3/b35-27+,36-28+,51-25+,52-26+/t53-,54-,55-,56-,57-,58-,59-,60+,61+,62+,63-,64+,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77-,78+,81-,82-,83-,84-,85+,86-,87+,88-,89+,90-/m0/s1 |
| InChIKey | PMOHGLKKBUNONX-MSIJPYCJSA-N |
| Literature Reference Author | E.H.ANDRIANASOLO,H.GROSS,D.GOEGER,M.MUSAFIJA-GIRT,K.MCPHAIL, R.M.LEAL,S.L.MOOBERR |
| Literature Reference Citation | ORG.LETTERS,7,1375(2005) |
| Literature Reference DOI | 10.1021/ol050188x |
| Molecular Weight | 1682.180 g/mol |
| Sample ID | 62192 |
| Solvent | CDCl3 |