| SpectraBase Compound ID | EuWv62vR0IA |
|---|---|
| InChI | InChI=1S/C19H25BrO2/c1-10-17-11(9-15(21)18(10)20)3-4-12-13(17)7-8-19(2)14(12)5-6-16(19)22/h9,12-14,16,21-22H,3-8H2,1-2H3 |
| InChIKey | NFENHRLXZWOKCF-UHFFFAOYSA-N |
| Mol Weight | 365.31 g/mol |
| Molecular Formula | C19H25BrO2 |
| Exact Mass | 364.103793 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2GRSHPNBkdZ |
|---|---|
| Name | Estra-1,3,5(10)-triene-3,17-diol, 2-bromo-1-methyl-, (17.beta.)- |
| CAS Registry Number | 16373-36-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H25BrO2 |
| InChI | InChI=1S/C19H25BrO2/c1-10-17-11(9-15(21)18(10)20)3-4-12-13(17)7-8-19(2)14(12)5-6-16(19)22/h9,12-14,16,21-22H,3-8H2,1-2H3 |
| InChIKey | NFENHRLXZWOKCF-UHFFFAOYSA-N |
| Molecular Weight | 365.311 g/mol |
| SMILES | Oc1cc2CCC3C4CCC(C4(CCC3c2c(c1Br)C)C)O |
| SPLASH | splash10-07vi-3967000000-8a90285d62a30ce5950b |
| Source of Spectrum | DE-0-64-0 |
| Synonyms | 2-Bromo-1-methylestra-1(10),2,4-triene-3,17-diol 2-Bromanyl-1,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol 2-Bromo-1,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID | 53658 |