| SpectraBase Compound ID | DVsTjfzNibF |
|---|---|
| InChI | InChI=1S/C58H98O2/c1-41(49-27-29-51-47-25-23-43-39-45(59)31-35-55(43,3)53(47)33-37-57(49,51)5)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-42(2)50-28-30-52-48-26-24-44-40-46(60)32-36-56(44,4)54(48)34-38-58(50,52)6/h23-24,41-42,45-54,59-60H,7-22,25-40H2,1-6H3/t41-,42+,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55-,56-,57+,58+/m0/s1 |
| InChIKey | NYRDROJTBXOUOS-BAKWHTEXSA-N |
| Mol Weight | 827.4 g/mol |
| Molecular Formula | C58H98O2 |
| Exact Mass | 826.756682 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AuKOGVsya33 |
|---|---|
| Name | 2,19-Bis(3-hydroxyandrost-5-en-17-yl)eicosane |
| Alternate Name(s) | (2R,15R)-14-{19-[(2R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]icosan-2-yl}-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C58H98O2 |
| InChI | InChI=1S/C58H98O2/c1-41(49-27-29-51-47-25-23-43-39-45(59)31-35-55(43,3)53(47)33-37-57(49,51)5)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-42(2)50-28-30-52-48-26-24-44-40-46(60)32-36-56(44,4)54(48)34-38-58(50,52)6/h23-24,41-42,45-54,59-60H,7-22,25-40H2,1-6H3/t41-,42+,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55-,56-,57+,58+/m0/s1 |
| InChIKey | NYRDROJTBXOUOS-BAKWHTEXSA-N |
| Molecular Weight | 827.420 g/mol |
| SMILES | OC1CC[C@]2(C(=CCC3C4[C@@](C([C@@](CCCCCCCCCCCCCCCC[C@@](C5[C@]6(CCC7[C@]8(CCC(CC8=CCC7C6CC5)O)C)C)(C)[H])(C)[H])CC4)(CCC23)C)C1)C |
| SPLASH | splash10-0a4i-0090000620-0fd246ef31ae888fc4ad |
| Source of Spectrum | F-53-10589-3 |
| Wiley ID | 803145 |