| SpectraBase Compound ID | 4qiq77aahqJ |
|---|---|
| InChI | InChI=1S/C91H154O28/c1-51-26-32-69(116-90-88(108-18)86(106-16)77(96)49-110-90)42-63-22-20-24-65(114-63)44-73(104-14)40-62(92)41-74(93)58(8)84(60(10)82(100)53(3)30-34-67-45-71(102-12)38-55(5)112-67)118-80(98)36-28-52(2)27-33-70(117-91-89(109-19)87(107-17)78(97)50-111-91)43-64-23-21-25-66(115-64)47-79(105-15)57(7)75(94)48-76(95)59(9)85(119-81(99)37-29-51)61(11)83(101)54(4)31-35-68-46-72(103-13)39-56(6)113-68/h20-23,26-29,36-37,53-79,82-97,100-101H,24-25,30-35,38-50H2,1-19H3/b36-28+,37-29+,51-26+,52-27+/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+,79-,82-,83-,84-,85-,86+,87-,88+,89-,90+,91-/m0/s1 |
| InChIKey | KMBIYPMGRFQUNL-DRHLUGDQSA-N |
| Mol Weight | 1696.2 g/mol |
| Molecular Formula | C91H154O28 |
| Exact Mass | 1695.062664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6KK7Q1Lb05 |
|---|---|
| Name | ANKARAHOLIDE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H154O28 |
| InChI | InChI=1S/C91H154O28/c1-51-26-32-69(116-90-88(108-18)86(106-16)77(96)49-110-90)42-63-22-20-24-65(114-63)44-73(104-14)40-62(92)41-74(93)58(8)84(60(10)82(100)53(3)30-34-67-45-71(102-12)38-55(5)112-67)118-80(98)36-28-52(2)27-33-70(117-91-89(109-19)87(107-17)78(97)50-111-91)43-64-23-21-25-66(115-64)47-79(105-15)57(7)75(94)48-76(95)59(9)85(119-81(99)37-29-51)61(11)83(101)54(4)31-35-68-46-72(103-13)39-56(6)113-68/h20-23,26-29,36-37,53-79,82-97,100-101H,24-25,30-35,38-50H2,1-19H3/b36-28+,37-29+,51-26+,52-27+/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+,79-,82-,83-,84-,85-,86+,87-,88+,89-,90+,91-/m0/s1 |
| InChIKey | KMBIYPMGRFQUNL-DRHLUGDQSA-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 | 1696.207 g/mol |
| Sample ID | 62193 |
| Solvent | CDCl3 |