| SpectraBase Compound ID | K3q2s38X0dF |
|---|---|
| InChI | InChI=1S/C56H94O2/c1-39(47-25-27-49-45-23-21-41-37-43(57)29-33-53(41,3)51(45)31-35-55(47,49)5)19-17-15-13-11-9-7-8-10-12-14-16-18-20-40(2)48-26-28-50-46-24-22-42-38-44(58)30-34-54(42,4)52(46)32-36-56(48,50)6/h21-22,39-40,43-52,57-58H,7-20,23-38H2,1-6H3/t39?,40?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53-,54-,55+,56+/m0/s1 |
| InChIKey | LDOBDVSMYLKPCB-UVRSAZBMSA-N |
| Mol Weight | 799.4 g/mol |
| Molecular Formula | C56H94O2 |
| Exact Mass | 798.725382 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ghv7n3zXD4R |
|---|---|
| Name | 2,17-Bis(3-hydroxyandrost-5-en-17-yl)octadecane |
| Alternate Name(s) | (2R,15R)-14-{17-[(2R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]octadecan-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 | C56H94O2 |
| InChI | InChI=1S/C56H94O2/c1-39(47-25-27-49-45-23-21-41-37-43(57)29-33-53(41,3)51(45)31-35-55(47,49)5)19-17-15-13-11-9-7-8-10-12-14-16-18-20-40(2)48-26-28-50-46-24-22-42-38-44(58)30-34-54(42,4)52(46)32-36-56(48,50)6/h21-22,39-40,43-52,57-58H,7-20,23-38H2,1-6H3/t39?,40?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53-,54-,55+,56+/m0/s1 |
| InChIKey | LDOBDVSMYLKPCB-UVRSAZBMSA-N |
| Molecular Weight | 799.366 g/mol |
| SMILES | OC1CC[C@]2(C(=CCC3C4[C@@](C(C(CCCCCCCCCCCCCCC(C5[C@]6(CCC7[C@]8(CCC(CC8=CCC7C6CC5)O)C)C)C)C)CC4)(CCC23)C)C1)C |
| SPLASH | splash10-0bt9-0060000900-bb390d2a9cf7138b6400 |
| Source of Spectrum | F-53-10586-2 |
| Wiley ID | 803150 |