| SpectraBase Compound ID | JOnBYWmfaNc |
|---|---|
| InChI | InChI=1S/C78H134N16O21/c1-26-43(11)54(82-58(104)51-35-46(97)40-94(51)69(115)78(25,31-6)83-44(12)95)60(106)87-75(22,28-3)64(110)81-49(33-42(9)10)55(101)84-70(13,14)61(107)88-71(15,16)62(108)89-72(17,18)67(113)92-38-45(96)34-50(92)57(103)80-48(32-41(7)8)56(102)85-76(23,29-4)65(111)90-73(19,20)68(114)93-39-47(98)36-52(93)59(105)86-77(24,30-5)66(112)91-74(21,27-2)63(109)79-37-53(99)100/h41-43,45-52,54,96-98H,26-40H2,1-25H3,(H,79,109)(H,80,103)(H,81,110)(H,82,104)(H,83,95)(H,84,101)(H,85,102)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,111)(H,91,112)(H,99,100)/t43-,45+,46+,47-,48+,49+,50-,51-,52+,54-,74?,75+,76-,77?,78-/m1/s1 |
| InChIKey | YFTZKWBPDUOAJS-XEAUEDJJSA-N |
| Mol Weight | 1632.0 g/mol |
| Molecular Formula | C78H134N16O21 |
| Exact Mass | 1630.990945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DqJEzac7xc |
|---|---|
| Name | INTEGRAMIDE_A |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H134N16O21 |
| InChI | InChI=1S/C78H134N16O21/c1-26-43(11)54(82-58(104)51-35-46(97)40-94(51)69(115)78(25,31-6)83-44(12)95)60(106)87-75(22,28-3)64(110)81-49(33-42(9)10)55(101)84-70(13,14)61(107)88-71(15,16)62(108)89-72(17,18)67(113)92-38-45(96)34-50(92)57(103)80-48(32-41(7)8)56(102)85-76(23,29-4)65(111)90-73(19,20)68(114)93-39-47(98)36-52(93)59(105)86-77(24,30-5)66(112)91-74(21,27-2)63(109)79-37-53(99)100/h41-43,45-52,54,96-98H,26-40H2,1-25H3,(H,79,109)(H,80,103)(H,81,110)(H,82,104)(H,83,95)(H,84,101)(H,85,102)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,111)(H,91,112)(H,99,100)/t43-,45+,46+,47-,48+,49+,50-,51-,52+,54-,74?,75+,76-,77?,78-/m1/s1 |
| InChIKey | YFTZKWBPDUOAJS-XEAUEDJJSA-N |
| Literature Reference Author | S.B.SINGH,K.HERATH,Z.GUAN,D.L.ZINK,A.W.DOMBROWSKI,J.D.POLISH OOK,K.C.SILVERMAN,R. |
| Literature Reference Citation | ORG.LETTERS,4,1431(2002) |
| Literature Reference DOI | 10.1021/ol025540a |
| Molecular Weight | 1632.017 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25275 |