| SpectraBase Compound ID | GDhicLbIZFI |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17,19-25,28-29H,3,6-16H2,1-2,4-5H3 |
| InChIKey | MUXHUOYJBKXWHR-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B1cvRrr3U1T |
|---|---|
| Name | Cholest-20-ene-3,6-diol, (3.beta.,5.alpha.,6.alpha.)- |
| CAS Registry Number | 41084-02-0 |
| 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)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17,19-25,28-29H,3,6-16H2,1-2,4-5H3 |
| InChIKey | MUXHUOYJBKXWHR-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | OC1CCC2(C(C(CC3C2CCC2(C3CCC2C(CCCC(C)C)=C)C)O)C1)C |
| SPLASH | splash10-0zfs-9421200000-f738d70fb99c0c8c62c6 |
| Source of Spectrum | J-8-3549-1 |
| Synonyms | Cholest-20-ene-3,6-diol 10,13-dimethyl-17-(5-methyl-1-methylene-hexyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 10,13-dimethyl-17-(6-methylhept-1-en-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 17-(1-isohexylvinyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol |
| Wiley ID | 1370650 |