| SpectraBase Compound ID | OcmF6lgUz9 |
|---|---|
| InChI | InChI=1S/C52H46N16O15S3/c1-10-28-49-55-13-32(83-49)44(76)54-16-35-53-14-33(85-35)45(77)62-24(7)50-56-15-34(86-50)46(78)60-22(5)40(72)61-23(6)48-66-30(17-82-48)37-27(51-67-31(18-84-51)43(75)68-36(26(9)69)47(79)65-28)11-12-29(64-37)42(74)59-21(4)39(71)57-19(2)38(70)58-20(3)41(73)63-25(8)52(80)81/h10-15,17-18,24,26,36,69H,2-6,8,16H2,1,7,9H3,(H,54,76)(H,57,71)(H,58,70)(H,59,74)(H,60,78)(H,61,72)(H,62,77)(H,63,73)(H,65,79)(H,68,75)(H,80,81)/b28-10+ |
| InChIKey | YBOCJDKNYICWMG-ORBVJSQLSA-N |
| Mol Weight | 1231.2 g/mol |
| Molecular Formula | C52H46N16O15S3 |
| Exact Mass | 1230.249068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmAXflyK0ft |
|---|---|
| Name | A-10255G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H46N16O15S3 |
| InChI | InChI=1S/C52H46N16O15S3/c1-10-28-49-55-13-32(83-49)44(76)54-16-35-53-14-33(85-35)45(77)62-24(7)50-56-15-34(86-50)46(78)60-22(5)40(72)61-23(6)48-66-30(17-82-48)37-27(51-67-31(18-84-51)43(75)68-36(26(9)69)47(79)65-28)11-12-29(64-37)42(74)59-21(4)39(71)57-19(2)38(70)58-20(3)41(73)63-25(8)52(80)81/h10-15,17-18,24,26,36,69H,2-6,8,16H2,1,7,9H3,(H,54,76)(H,57,71)(H,58,70)(H,59,74)(H,60,78)(H,61,72)(H,62,77)(H,63,73)(H,65,79)(H,68,75)(H,80,81)/b28-10+ |
| InChIKey | YBOCJDKNYICWMG-ORBVJSQLSA-N |
| Literature Reference Author | M.DEBONO,R.M.MOLLOY,J.L.OCCOLOWITZ,J.W.PASCHAL,A.H.HUNT,K.H. MICHEL,J.W.MARTIN |
| Literature Reference Citation | J.ORG.CHEM.,57,5200(1992) |
| Literature Reference DOI | 10.1021/jo00045a037 |
| Molecular Weight | 1231.215 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS3976 |