| SpectraBase Compound ID | 10hCauREya2 |
|---|---|
| InChI | InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h15,19-23,25H,6-14,16-18H2,1-5H3/t20-,21-,22+,23-,25+,26+,27-/m1/s1 |
| InChIKey | ADYSAMHBVVKARA-AWIFYVCSSA-N |
| Mol Weight | 370.7 g/mol |
| Molecular Formula | C27H46 |
| Exact Mass | 370.359951 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cz2Qcvyxb2k |
|---|---|
| Name | Cholest-14-ene, (5.alpha.,17.alpha.)- |
| Alternate Name(s) | (5R,8R,9S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (5R,8R,9S,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 5-Alpha,17-.beta.-cholest-14-ene 5.alpha.,17.beta.(H)-cholest-14-ene |
| CAS Registry Number | 95722-87-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46 |
| InChI | InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h15,19-23,25H,6-14,16-18H2,1-5H3/t20-,21-,22+,23-,25+,26+,27-/m1/s1 |
| InChIKey | ADYSAMHBVVKARA-AWIFYVCSSA-N |
| Molecular Weight | 370.665 g/mol |
| SMILES | C1=2[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])(CC[C@]2([C@]1(CC[C@]1(CCCC[C@]21C)[H])[H])[H])C |
| SPLASH | splash10-0a4i-0095000000-1ebbec6f8880ad545741 |
| Source of Spectrum | KC-1988-1070-10 |
| Wiley ID | 1354780 |