| SpectraBase Compound ID | FTE4Xvanu6n |
|---|---|
| InChI | InChI=1S/C28H44O6/c1-16(6-11-26(31)32)22-9-10-23-21-8-7-19-14-20(33-17(2)29)12-13-27(19,4)24(21)15-25(28(22,23)5)34-18(3)30/h16,19-25H,6-15H2,1-5H3,(H,31,32) |
| InChIKey | LUOPZKZFPIQXAL-UHFFFAOYSA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C28H44O6 |
| Exact Mass | 476.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5H4bvHZ5I2j |
|---|---|
| Name | Cholan-24-oic acid, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)- |
| Alternate Name(s) | 3,12-Bis(acetyloxy)cholan-24-oic acid 4-(3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 4-(3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid 4-(3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-, diacetate 7-Desoxycholic acid, diacetate Deoxycholic acid diacetate Desoxycholic acid acetated |
| CAS Registry Number | 33628-48-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O6 |
| InChI | InChI=1S/C28H44O6/c1-16(6-11-26(31)32)22-9-10-23-21-8-7-19-14-20(33-17(2)29)12-13-27(19,4)24(21)15-25(28(22,23)5)34-18(3)30/h16,19-25H,6-15H2,1-5H3,(H,31,32) |
| InChIKey | LUOPZKZFPIQXAL-UHFFFAOYSA-N |
| Molecular Weight | 476.654 g/mol |
| SMILES | OC(CCC(C1CCC2C3CCC4CC(CCC4(C3CC(C12C)OC(C)=O)C)OC(=O)C)C)=O |
| SPLASH | splash10-0a4i-8954000000-69a97fef3da0cf9d9281 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1394384 |