| SpectraBase Compound ID | D46btBzeTDL |
|---|---|
| InChI | InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31) |
| InChIKey | VFUIRAVTUVCQTF-UHFFFAOYSA-N |
| Mol Weight | 466.6 g/mol |
| Molecular Formula | C25H38O8 |
| Exact Mass | 466.256668 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2JxWzYeQim |
|---|---|
| Name | 17-Oxoandrostan-3-yl hexopyranosiduronic acid |
| CAS Registry Number | 1852-43-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O8 |
| InChI | InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31) |
| InChIKey | VFUIRAVTUVCQTF-UHFFFAOYSA-N |
| Molecular Weight | 466.571 g/mol |
| SMILES | OC1C(OC(C(O)=O)C(C1O)O)OC1CCC2(C)C3C(C4C(CC3)(C(CC4)=O)C)CCC2C1 |
| SPLASH | splash10-052f-9520000000-d0228a59fb607c337bfb |
| Source of Spectrum | NP-15-4558-0 |
| Synonyms | 5.alpha.-Androstan-3.alpha.-ol-17-one glucoronide 6-[(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid 6-[(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 6-[(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid 6-[(10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
| Wiley ID | 1112553 |