| SpectraBase Compound ID | 8UIN2m7PHOn |
|---|---|
| InChI | InChI=1S/C40H42N8O9S/c1-25-22-47(38(51)42-36(25)49)34-20-30(44-46-41)32(56-34)18-19-58(53,54)45-31-21-35(48-23-26(2)37(50)43-39(48)52)57-33(31)24-55-40(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,22-23,30-35,45H,18-21,24H2,1-2H3,(H,42,49,51)(H,43,50,52)/t30-,31-,32+,33+,34+,35+/m1/s1 |
| InChIKey | SZPMLASEWGFUAW-HCQLSQDOSA-N |
| Mol Weight | 810.9 g/mol |
| Molecular Formula | C40H42N8O9S |
| Exact Mass | 810.279546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3y2DKDps02y |
|---|---|
| Name | SZPMLASEWGFUAW-HCQLSQDOSA-N |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42N8O9S |
| InChI | InChI=1S/C40H42N8O9S/c1-25-22-47(38(51)42-36(25)49)34-20-30(44-46-41)32(56-34)18-19-58(53,54)45-31-21-35(48-23-26(2)37(50)43-39(48)52)57-33(31)24-55-40(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,22-23,30-35,45H,18-21,24H2,1-2H3,(H,42,49,51)(H,43,50,52)/t30-,31-,32+,33+,34+,35+/m1/s1 |
| InChIKey | SZPMLASEWGFUAW-HCQLSQDOSA-N |
| Literature Reference Author | R.C.REYNOLDS,P.A.CROOKS,J.A.MADDRY,M.S.AKHTAR,J.A.MONTGOMERY ,J.A.SECRIST |
| Literature Reference Citation | J.ORG.CHEM.,57,2983(1992) |
| Literature Reference DOI | 10.1021/jo00037a003 |
| Molecular Weight | 810.882 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS3967 |