SpectraBase Compound ID | DuSN9C8cA3v |
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InChI | InChI=1S/C31H46O6/c1-17(16-35-19(3)32)13-27-29(34)18(2)28-26(37-27)15-25-23-8-7-21-14-22(36-20(4)33)9-11-30(21,5)24(23)10-12-31(25,28)6/h13,17-18,21-26,28H,7-12,14-16H2,1-6H3/b27-13-/t17-,18-,21+,22-,23+,24-,25-,26-,28-,30-,31-/m0/s1 |
InChIKey | CWLIUBDLJTXZEE-DCXYCPOHSA-N |
Mol Weight | 514.7 g/mol |
Molecular Formula | C31H46O6 |
Exact Mass | 514.329439 g/mol |
SpectraBase Spectrum ID | JS74WDtyO4v |
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Name | (23Z,25S)-3-BETA,26-DIACETOXY-16-BETA,23-EPOXY-5-BETA-CHOLEST-23-EN-22-ONE |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C31H46O6 |
InChI | InChI=1S/C31H46O6/c1-17(16-35-19(3)32)13-27-29(34)18(2)28-26(37-27)15-25-23-8-7-21-14-22(36-20(4)33)9-11-30(21,5)24(23)10-12-31(25,28)6/h13,17-18,21-26,28H,7-12,14-16H2,1-6H3/b27-13-/t17-,18-,21+,22-,23+,24-,25-,26-,28-,30-,31-/m0/s1 |
InChIKey | CWLIUBDLJTXZEE-DCXYCPOHSA-N |
Literature Reference Author | Y.LOPEZ,L.RODRIGUEZ,R.E.DELRIO,N.FARFAN,J.W.MORZYCKI,R.SANTI LLAN |
Literature Reference Citation | STEROIDS,77,534(2012) |
Literature Reference DOI | 10.1016/j.steroids.2012.01.018 |
Molecular Weight | 514.703 g/mol |
Sample ID | 70603 |
Solvent | CDCl3 |