| SpectraBase Compound ID | 3iVyrT6H7f5 |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(24(29)12-13-25(2,3)30)21-8-9-22-20-7-6-18-16-19(28)10-14-26(18,4)23(20)11-15-27(21,22)5/h16-17,20-24,29-30H,6-15H2,1-5H3 |
| InChIKey | CLLPYJSPFOBNLE-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4R2jYsMPOo3 |
|---|---|
| Name | Cholest-5-en-3-one, 22,25-dihydroxy- |
| Alternate Name(s) | 22,25-Dihydroxycholest-4-en-3-one 10,13-dimethyl-17-[6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(2,5-dihydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(3,6-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 17205-76-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(24(29)12-13-25(2,3)30)21-8-9-22-20-7-6-18-16-19(28)10-14-26(18,4)23(20)11-15-27(21,22)5/h16-17,20-24,29-30H,6-15H2,1-5H3 |
| InChIKey | CLLPYJSPFOBNLE-UHFFFAOYSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC(CCC(C(C1C2(C)C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CC1)C)O)(C)C |
| SPLASH | splash10-0fkd-9301000000-d0f3bca209a31a79b29e |
| Source of Spectrum | AD-0-927-0 |
| Wiley ID | 1376581 |