| SpectraBase Compound ID | EPSNDai3zj0 |
|---|---|
| InChI | InChI=1S/C51H93N9O9/c1-27(2)44(19,36(61)45(20,28(3)4)59-60-52)37(62)53-46(21,29(5)6)38(63)54-47(22,30(7)8)39(64)55-48(23,31(9)10)40(65)56-49(24,32(11)12)41(66)57-50(25,33(13)14)42(67)58-51(26,34(15)16)43(68)69-35(17)18/h27-35H,1-26H3,(H,53,62)(H,54,63)(H,55,64)(H,56,65)(H,57,66)(H,58,67)/t44-,45+,46+,47+,48+,49+,50+,51+/m0/s1 |
| InChIKey | ZSGQVVWRJJARCN-JCPLTSJRSA-N |
| Mol Weight | 976.4 g/mol |
| Molecular Formula | C51H93N9O9 |
| Exact Mass | 975.709626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xO7uxu3zdN |
|---|---|
| Name | ZSGQVVWRJJARCN-JCPLTSJRSA-N |
| Compound Number | 4G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H93N9O9 |
| InChI | InChI=1S/C51H93N9O9/c1-27(2)44(19,36(61)45(20,28(3)4)59-60-52)37(62)53-46(21,29(5)6)38(63)54-47(22,30(7)8)39(64)55-48(23,31(9)10)40(65)56-49(24,32(11)12)41(66)57-50(25,33(13)14)42(67)58-51(26,34(15)16)43(68)69-35(17)18/h27-35H,1-26H3,(H,53,62)(H,54,63)(H,55,64)(H,56,65)(H,57,66)(H,58,67)/t44-,45+,46+,47+,48+,49+,50+,51+/m0/s1 |
| InChIKey | ZSGQVVWRJJARCN-JCPLTSJRSA-N |
| Literature Reference Author | A.DALPOZZO,M.NI,L.MUZI,A.CAPORALE,R.D.CASTIGLIONE,B.KAPTEIN, Q.B.BROXTERMAN,F.FOR |
| Literature Reference Citation | J.ORG.CHEM.,67,6372(2002) |
| Literature Reference DOI | 10.1021/jo020280w |
| Molecular Weight | 976.354 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI22001 |