| SpectraBase Compound ID | AtLLJ5TNQ7U |
|---|---|
| InChI | InChI=1S/C23H36O6/c1-12(24)28-18-10-14-9-15(26)7-8-22(14,3)17-11-20(29-13(2)25)23(4)16(21(17)18)5-6-19(23)27/h14-21,26-27H,5-11H2,1-4H3 |
| InChIKey | NXCLKPJUMVOFIH-UHFFFAOYSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C23H36O6 |
| Exact Mass | 408.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6WFAzYTRlOp |
|---|---|
| Name | Androstane-3,7,12,17-tetrol, 7,12-diacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.,17.beta.)- |
| Alternate Name(s) | 12-(Acetyloxy)-3,17-dihydroxyandrostan-7-yl acetate (12-acetoxy-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl) acetate (12-acetyloxy-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl) acetate Acetic acid (12-acetoxy-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl) ester Acetic acid (12-acetyloxy-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl) ester |
| CAS Registry Number | 64595-25-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O6 |
| InChI | InChI=1S/C23H36O6/c1-12(24)28-18-10-14-9-15(26)7-8-22(14,3)17-11-20(29-13(2)25)23(4)16(21(17)18)5-6-19(23)27/h14-21,26-27H,5-11H2,1-4H3 |
| InChIKey | NXCLKPJUMVOFIH-UHFFFAOYSA-N |
| Molecular Weight | 408.535 g/mol |
| SMILES | OC1CCC2C1(C(CC1C2C(CC2C1(CCC(C2)O)C)OC(=O)C)OC(=O)C)C |
| SPLASH | splash10-004i-0090000000-aa66cac55729787c5718 |
| Source of Spectrum | O-13-407-3 |
| Wiley ID | 1372983 |