![4,10-(Epoxymethano)-10H-cyclopenta[a]phenanthrene, cholestane deriv.](/api/spectrum/CPZvoWjdGiY/structure.png?h=300&w=458 "4,10-(Epoxymethano)-10H-cyclopenta[a]phenanthrene, cholestane deriv.")
| SpectraBase Compound ID | ISJrPeB5OV9 |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-6-30-27-29-17-8-11-26(31-27)25(29)13-12-21-23-15-14-22(20(4)10-7-9-19(2)3)28(23,5)18-16-24(21)29/h19-27H,6-18H2,1-5H3/t20-,21+,22-,23+,24+,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey | JCWLJEZSGKEUBD-IDLOFGRNSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CPZvoWjdGiY |
|---|---|
| Name | 4,10-(Epoxymethano)-10H-cyclopenta[a]phenanthrene, cholestane deriv. |
| CAS Registry Number | 121691-70-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-6-30-27-29-17-8-11-26(31-27)25(29)13-12-21-23-15-14-22(20(4)10-7-9-19(2)3)28(23,5)18-16-24(21)29/h19-27H,6-18H2,1-5H3/t20-,21+,22-,23+,24+,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey | JCWLJEZSGKEUBD-IDLOFGRNSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | [C@]123[C@@]4([C@@]([C@@]5(CC[C@@]([C@]5(CC4)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@@]([H])(O[C@]3(OCC)[H])CCC1)[H])[H] |
| SPLASH | splash10-0pbc-0039000000-0c3d7a549f8c692f44e1 |
| Source of Spectrum | KC-1989-409-0 |
| Synonyms | Cholestane, 4,19-epoxy-19-ethoxy-, (4.beta.,5.alpha.,19R)- (1S,2S,5R,6R,9S,10S,13R,14S,18R)-6-[(1R)-1,5-dimethylhexyl]-18-ethoxy-5-methyl-19-oxapentacyclo[12.3.2.0(1,13).0(2,10).0(5,9)]nonadecane (1S,2S,5R,6R,9S,10S,13R,14S,18R)-6-[(1R)-1,5-dimethylhexyl]-5-methyl-19-oxapentacyclo[12.3.2.0(1,13).0(2,10).0(5,9)]nonadec-18-yl ethyl ether 19(R)-4.beta.19.beta.-epoxy-19-ethoxy-5.alpha.-cholestane |
| Wiley ID | 1381834 |