| SpectraBase Compound ID | DmTu6oJW2HI |
|---|---|
| InChI | InChI=1S/C69H110O26/c1-33-57(91-55-29-50(76-15)59(35(3)83-55)93-65-64(89-42(10)72)63(78-17)62(37(5)85-65)88-41(9)71)48(74-13)27-54(81-33)90-58-34(2)82-56(28-49(58)75-14)92-60-38(6)94-69(31-52(60)77-16)80-32-79-51-30-53(84-36(4)61(51)95-69)86-39(7)68(73)25-22-47-45-19-18-43-26-44(87-40(8)70)20-23-66(43,11)46(45)21-24-67(47,68)12/h18,33-39,44-65,73H,19-32H2,1-17H3/t33-,34+,35+,36-,37-,38-,39-,44-,45+,46-,47-,48+,49-,50-,51-,52-,53+,54+,55-,56-,57-,58+,59+,60-,61-,62+,63+,64-,65+,66-,67-,68-,69+/m0/s1 |
| InChIKey | LSTKSAODVAQLFY-IFEXVUMBSA-N |
| Mol Weight | 1355.6 g/mol |
| Molecular Formula | C69H110O26 |
| Exact Mass | 1354.728534 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIR4YOCvI5r |
|---|---|
| Name | PERIPLOSIDE-A-DIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H110O26 |
| InChI | InChI=1S/C69H110O26/c1-33-57(91-55-29-50(76-15)59(35(3)83-55)93-65-64(89-42(10)72)63(78-17)62(37(5)85-65)88-41(9)71)48(74-13)27-54(81-33)90-58-34(2)82-56(28-49(58)75-14)92-60-38(6)94-69(31-52(60)77-16)80-32-79-51-30-53(84-36(4)61(51)95-69)86-39(7)68(73)25-22-47-45-19-18-43-26-44(87-40(8)70)20-23-66(43,11)46(45)21-24-67(47,68)12/h18,33-39,44-65,73H,19-32H2,1-17H3/t33-,34+,35+,36-,37-,38-,39-,44-,45+,46-,47-,48+,49-,50-,51-,52-,53+,54+,55-,56-,57-,58+,59+,60-,61-,62+,63+,64-,65+,66-,67-,68-,69+/m0/s1 |
| InChIKey | LSTKSAODVAQLFY-IFEXVUMBSA-N |
| Literature Reference Author | Y.OSHIMA,T.HIROTA,H.HIKINO |
| Literature Reference Citation | HETEROCYCLES,26,2093(1987) |
| Literature Reference DOI | 10.3987/R-1987-08-2093 |
| Molecular Weight | 1355.617 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED5097 |