| SpectraBase Compound ID | 2hQdCnaDyuN |
|---|---|
| InChI | InChI=1S/C38H67N9O14S2/c1-19(49)43-27-29(53)32(22(17-48)58-33(27)46-36(62)40-14-15-41-37(57)61-38(2,3)4)60-34-31(55)30(54)28(52)21(59-34)16-42-47-25(51)12-6-5-9-13-39-24(50)11-8-7-10-23-26-20(18-63-23)44-35(56)45-26/h20-23,26-34,42,48,52-55H,5-18H2,1-4H3,(H,39,50)(H,41,57)(H,43,49)(H,47,51)(H2,40,46,62)(H2,44,45,56)/t20?,21-,22-,23+,26?,27-,28+,29-,30+,31-,32-,33-,34+/m1/s1 |
| InChIKey | NAMSLYOWLMCDTO-ZHFQXMFVSA-N |
| Mol Weight | 938.1 g/mol |
| Molecular Formula | C38H67N9O14S2 |
| Exact Mass | 937.42489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NVRaUvB7ju |
|---|---|
| Name | NAMSLYOWLMCDTO-ZHFQXMFVSA-N |
| Compound Number | 15A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H67N9O14S2 |
| InChI | InChI=1S/C38H67N9O14S2/c1-19(49)43-27-29(53)32(22(17-48)58-33(27)46-36(62)40-14-15-41-37(57)61-38(2,3)4)60-34-31(55)30(54)28(52)21(59-34)16-42-47-25(51)12-6-5-9-13-39-24(50)11-8-7-10-23-26-20(18-63-23)44-35(56)45-26/h20-23,26-34,42,48,52-55H,5-18H2,1-4H3,(H,39,50)(H,41,57)(H,43,49)(H,47,51)(H2,40,46,62)(H2,44,45,56)/t20?,21-,22-,23+,26?,27-,28+,29-,30+,31-,32-,33-,34+/m1/s1 |
| InChIKey | NAMSLYOWLMCDTO-ZHFQXMFVSA-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 | 938.122 g/mol |
| Solvent | D2O |
| Source File Reference | UWIR10539 |