| SpectraBase Compound ID | 9jYCA0e2oHj |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | OYXZMSRRJOYLLO-KGZHIOMZSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JgYKrY6SwkJ |
|---|---|
| Name | (3beta,7beta)-cholest-5-ene-3,7-diol |
| Alternate Name(s) | (3S,7R,8S,9S,10R,13R,14S,17R)-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-3,7-diol (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | OYXZMSRRJOYLLO-KGZHIOMZSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | O[C@]1(C=C2[C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3([C@]12[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-001i-0009000000-5c62b778f2636abef6e8 |
| Source of Spectrum | X2-55-1593-8 |
| Wiley ID | 1604623 |