| SpectraBase Compound ID | KtpiFS5aktE |
|---|---|
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21-,22+,24-,25+,26-,27-,28-,29-,30+,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51+/m0/s1 |
| InChIKey | GMCGZPQYTRHQRU-TZTPMVPOSA-N |
| Mol Weight | 1065.2 g/mol |
| Molecular Formula | C51H84O23 |
| Exact Mass | 1064.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPpbqatrxcm |
|---|---|
| Name | GMCGZPQYTRHQRU-TZTPMVPOSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O23 |
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21-,22+,24-,25+,26-,27-,28-,29-,30+,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51+/m0/s1 |
| InChIKey | GMCGZPQYTRHQRU-TZTPMVPOSA-N |
| Literature Reference Author | V.L.CHALLINOR,S.PIACENTE,J.J.DEVOSS |
| Literature Reference Citation | STEROIDS,77,602(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.02.002 |
| Molecular Weight | 1065.214 g/mol |
| Sample ID | 968853 |
| Solvent | C5D5N:D2O=9:1 |