SpectraBase Compound ID | EsrXOSGpbwE |
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InChI | InChI=1S/C35H48O8/c1-19(7-8-23-15-25(39)9-12-30(23)40)27-10-11-28-33-29(18-32(35(27,28)6)43-22(4)38)34(5)14-13-26(41-20(2)36)16-24(34)17-31(33)42-21(3)37/h9,12,15,19,24,26-29,31-33H,7-8,10-11,13-14,16-18H2,1-6H3/t19-,24+,26-,27-,28+,29+,31-,32+,33+,34+,35-/m1/s1 |
InChIKey | UKNRMDXJQLLJJH-MYGQEWPBSA-N |
Mol Weight | 596.8 g/mol |
Molecular Formula | C35H48O8 |
Exact Mass | 596.334918 g/mol |
SpectraBase Spectrum ID | 5NTlPO9MzvV |
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Name | 23-(1,4-BENZOQUINOYL)-24-NOR-5-BETA-CHOLANE-3-ALPHA,7-ALPHA,12-ALPHA-TRIYL-TRIACETATE |
Compound Number | 5C |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C35H48O8 |
InChI | InChI=1S/C35H48O8/c1-19(7-8-23-15-25(39)9-12-30(23)40)27-10-11-28-33-29(18-32(35(27,28)6)43-22(4)38)34(5)14-13-26(41-20(2)36)16-24(34)17-31(33)42-21(3)37/h9,12,15,19,24,26-29,31-33H,7-8,10-11,13-14,16-18H2,1-6H3/t19-,24+,26-,27-,28+,29+,31-,32+,33+,34+,35-/m1/s1 |
InChIKey | UKNRMDXJQLLJJH-MYGQEWPBSA-N |
Literature Reference Author | G.E.SILESS,M.E.KNOTT,M.G.DERITA,S.A.ZACCHINO,L.PURICELLI,J.A .PALERMO |
Literature Reference Citation | STEROIDS,77,45(2012) |
Literature Reference DOI | 10.1016/j.steroids.2011.09.012 |
Molecular Weight | 596.761 g/mol |
Sample ID | 70523 |
Solvent | CDCl3 |