3,6-Dihydroxyestra-1,3,5(10)-trien-17-one (CHEM121639)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 09:28:33 UTC | ||||||||
| Update Date | 2026-05-21 10:19:52 UTC | ||||||||
| Accession Number | CHEM121639 | ||||||||
| Identification | |||||||||
| Common Name | 3,6-Dihydroxyestra-1,3,5(10)-trien-17-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H22O3 | ||||||||
| Average Molecular Mass | 286.371 g/mol | ||||||||
| Monoisotopic Mass | 286.157 g/mol | ||||||||
| CAS Registry Number | 1476-78-4 | ||||||||
| IUPAC Name | 3,6-Dihydroxyestra-1,3,5(10)-trien-17-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(C=C(O)C=C3)C([H])(O)C[C@@]21[H] | ||||||||
| InChI Identifier | InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-16,19-20H,4-7,9H2,1H3/t12-,13-,15+,16+,18+/m1/s1 | ||||||||
| InChI Key | HTORTGVWUGQTHQ-QNZOISAHSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
