| SpectraBase Compound ID | KAF5xm2eDCf |
|---|---|
| InChI | InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-23(31)24(32)22-18-12-20(30)27(33)13-17(29)8-11-26(27,4)19(18)9-10-25(21,22)3/h15-24,28-33H,5-14H2,1-4H3/t15?,16-,17+,18-,19+,20-,21+,22-,23-,24-,25-,26-,27+/m1/s1 |
| InChIKey | CLNZRUHMYVMUAU-COACWXPYSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C27H48O6 |
| Exact Mass | 468.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4HQjINksoBj |
|---|---|
| Name | (3beta,5alpha,6beta,15alpha,16beta)-cholestane-3,5,6,15,16,26-hexol |
| CAS Registry Number | 93368-83-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O6 |
| InChI | InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-23(31)24(32)22-18-12-20(30)27(33)13-17(29)8-11-26(27,4)19(18)9-10-25(21,22)3/h15-24,28-33H,5-14H2,1-4H3/t15?,16-,17+,18-,19+,20-,21+,22-,23-,24-,25-,26-,27+/m1/s1 |
| InChIKey | CLNZRUHMYVMUAU-COACWXPYSA-N |
| Molecular Weight | 468.675 g/mol |
| SMILES | OCC(CCC[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4([C@@](C[C@]3([C@@]2([C@]([C@@]1(O)[H])(O)[H])[H])[H])(O)[H])O)(O)[H])C)[H])C)[H])(C)[H])C |
| SPLASH | splash10-0is1-0027900000-757c60374453198eb784 |
| Source of Spectrum | X2-47-784-1 |
| Synonyms | (3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol (3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(1R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol (3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol |
| Wiley ID | 1601514 |