| SpectraBase Compound ID | K7zPDGz21Fe |
|---|---|
| InChI | InChI=1S/C52H90N10O24S2/c1-22(66)57-33-37(72)42(27(19-64)79-45(33)61-50(87)54-15-16-55-51(78)86-52(3,4)5)84-48-41(76)44(36(71)26(18-63)81-48)85-46-34(58-23(2)67)38(73)43(28(20-65)82-46)83-47-40(75)39(74)35(70)25(80-47)17-56-62-31(69)13-7-6-10-14-53-30(68)12-9-8-11-29-32-24(21-88-29)59-49(77)60-32/h24-29,32-48,56,63-65,70-76H,6-21H2,1-5H3,(H,53,68)(H,55,78)(H,57,66)(H,58,67)(H,62,69)(H2,54,61,87)(H2,59,60,77)/t24?,25-,26-,27-,28-,29+,32?,33-,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/m1/s1 |
| InChIKey | TZWVBGYSEFBBAW-JETQVSHDSA-N |
| Mol Weight | 1303.5 g/mol |
| Molecular Formula | C52H90N10O24S2 |
| Exact Mass | 1302.557086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0cGcdR1rxN |
|---|---|
| Name | TZWVBGYSEFBBAW-JETQVSHDSA-N |
| Compound Number | 15B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H90N10O24S2 |
| InChI | InChI=1S/C52H90N10O24S2/c1-22(66)57-33-37(72)42(27(19-64)79-45(33)61-50(87)54-15-16-55-51(78)86-52(3,4)5)84-48-41(76)44(36(71)26(18-63)81-48)85-46-34(58-23(2)67)38(73)43(28(20-65)82-46)83-47-40(75)39(74)35(70)25(80-47)17-56-62-31(69)13-7-6-10-14-53-30(68)12-9-8-11-29-32-24(21-88-29)59-49(77)60-32/h24-29,32-48,56,63-65,70-76H,6-21H2,1-5H3,(H,53,68)(H,55,78)(H,57,66)(H,58,67)(H,62,69)(H2,54,61,87)(H2,59,60,77)/t24?,25-,26-,27-,28-,29+,32?,33-,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/m1/s1 |
| InChIKey | TZWVBGYSEFBBAW-JETQVSHDSA-N |
| Literature Reference Author | C.E.KUPPER,R.R.ROSENCRANTZ,B.HENBEN,H.PELANTOVA,S.THOENES,A. DROZDOVA,V.KREN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,712(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.80 |
| Molecular Weight | 1303.459 g/mol |
| Solvent | D2O |
| Source File Reference | UWIR10540 |