| SpectraBase Compound ID | Iwn4AdllO7Q |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-24(2,28)14-6-5-7-18-9-11-22-21-10-8-19-17-20(27)12-15-26(19,4)23(21)13-16-25(18,22)3/h8,18,20-23,27-28H,5-7,9-17H2,1-4H3/t18-,20-,21-,22-,23-,25+,26-/m0/s1 |
| InChIKey | YXASFICLRLEFDB-SAWJQWRGSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C26H44O2 |
| Exact Mass | 388.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8R0D5FQNJB4 |
|---|---|
| Name | 3.beta.,25-Dihydroxy-21-nor-cholest-5-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O2 |
| InChI | InChI=1S/C26H44O2/c1-24(2,28)14-6-5-7-18-9-11-22-21-10-8-19-17-20(27)12-15-26(19,4)23(21)13-16-25(18,22)3/h8,18,20-23,27-28H,5-7,9-17H2,1-4H3/t18-,20-,21-,22-,23-,25+,26-/m0/s1 |
| InChIKey | YXASFICLRLEFDB-SAWJQWRGSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | OC(CCCC[C@]1(CC[C@]2([C@@]3(CC=C4[C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)C |
| SPLASH | splash10-0a4i-0934000000-662c3266407b2ecdd4d4 |
| Source of Spectrum | Y4-84-109-8 |
| Synonyms | (1S,2R,5S,10S,11S,14S,15R)-14-(5-hydroxy-5-methylhexyl)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol (3S,8S,9S,10R,13R,14S,17S)-17-(5-hydroxy-5-methylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(5-methyl-5-oxidanyl-hexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1550046 |