| SpectraBase Compound ID | DBWjLOAqTE8 |
|---|---|
| InChI | InChI=1S/C34H48N2O4S/c1-21-6-9-26(10-7-21)41(37,38)36-35-25-13-15-32(4)24(18-25)8-11-27-28(32)14-16-33(5)29(27)19-30-31(33)23(3)34(40-30)17-12-22(2)20-39-34/h6-7,9-10,18,22-23,27-31,36H,8,11-17,19-20H2,1-5H3/b35-25+/t22-,23+,27-,28+,29+,30+,31+,32+,33+,34-/m1/s1 |
| InChIKey | YPUSHSBDAORPOE-DFGOSCRVSA-N |
| Mol Weight | 580.8 g/mol |
| Molecular Formula | C34H48N2O4S |
| Exact Mass | 580.333479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAxU1La1pEZ |
|---|---|
| Name | (25R)-3-PARA-TOLUENEHYDRAZINE-SPIROSTAN-4-ENE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48N2O4S |
| InChI | InChI=1S/C34H48N2O4S/c1-21-6-9-26(10-7-21)41(37,38)36-35-25-13-15-32(4)24(18-25)8-11-27-28(32)14-16-33(5)29(27)19-30-31(33)23(3)34(40-30)17-12-22(2)20-39-34/h6-7,9-10,18,22-23,27-31,36H,8,11-17,19-20H2,1-5H3/b35-25+/t22-,23+,27-,28+,29+,30+,31+,32+,33+,34-/m1/s1 |
| InChIKey | YPUSHSBDAORPOE-DFGOSCRVSA-N |
| Literature Reference Author | A.PABON,G.ESCOBAR,E.VARGAS,V.CRUZ,R.NOTARIO,S.BLAIR,F.ECHEVE RRI |
| Literature Reference Citation | MOLECULES,18,3356(2013) |
| Literature Reference DOI | 10.3390/molecules18033356 |
| Molecular Weight | 580.826 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT8987 |