| SpectraBase Compound ID | DtFnQ1JDDuw |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-12-10-15(23)11-14-4-5-16-17(20(12)14)8-9-21(3)18(16)6-7-19(21)24-13(2)22/h10-11,16-19,23H,4-9H2,1-3H3 |
| InChIKey | PPTPUSGUPHWSAJ-UHFFFAOYSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8OiD51qFcFm |
|---|---|
| Name | Estra-1,3,5(10)-triene-3,17-diol, 1-methyl-, 17-acetate, (17.beta.)- |
| CAS Registry Number | 2456-11-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-12-10-15(23)11-14-4-5-16-17(20(12)14)8-9-21(3)18(16)6-7-19(21)24-13(2)22/h10-11,16-19,23H,4-9H2,1-3H3 |
| InChIKey | PPTPUSGUPHWSAJ-UHFFFAOYSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | Oc1cc(C)c2c(c1)CCC1C2CCC2(C)C1CCC2OC(C)=O |
| SPLASH | splash10-00b9-1912000000-441d3e101f24199a2af2 |
| Source of Spectrum | DE-0-14-0 |
| Synonyms | 3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-yl acetate (1,13-dimethyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate (3-hydroxy-1,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate Acetic acid (3-hydroxy-1,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester |
| Wiley ID | 49019 |