| SpectraBase Compound ID | 5O0q4UVLieq |
|---|---|
| InChI | InChI=1S/C34H52O/c1-23(2)8-7-9-24(3)30-16-17-31-29-15-12-27-22-26(25-10-13-28(35-6)14-11-25)18-20-33(27,4)32(29)19-21-34(30,31)5/h10-14,23-24,26,29-32H,7-9,15-22H2,1-6H3/t24-,26+,29+,30-,31+,32+,33+,34-/m1/s1 |
| InChIKey | JAKDMHFIKZSEHP-VCTHZOALSA-N |
| Mol Weight | 476.8 g/mol |
| Molecular Formula | C34H52O |
| Exact Mass | 476.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HorNXuTgatq |
|---|---|
| Name | (3beta)-3-(4-methoxyphenyl)cholest-5-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H52O |
| InChI | InChI=1S/C34H52O/c1-23(2)8-7-9-24(3)30-16-17-31-29-15-12-27-22-26(25-10-13-28(35-6)14-11-25)18-20-33(27,4)32(29)19-21-34(30,31)5/h10-14,23-24,26,29-32H,7-9,15-22H2,1-6H3/t24-,26+,29+,30-,31+,32+,33+,34-/m1/s1 |
| InChIKey | JAKDMHFIKZSEHP-VCTHZOALSA-N |
| Molecular Weight | 476.789 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](c2ccc(cc2)OC)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-004i-1802900000-ccb4dccbba40d5dd40bb |
| Source of Spectrum | SK-28-1446-9 |
| Synonyms | (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-(4-methoxyphenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (3S,8S,9S,10R,13R,14S,17R)-3-(4-methoxyphenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene |
| Wiley ID | 868290 |