Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE9XS1
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| Ligand Name |
(8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-Methyl-16-(Phenylmethyl)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]phenanthrene-3,17-Diol
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| Synonyms |
CHEMBL270250; (8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-Methyl-16-(Phenylmethyl)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]phenanthrene-3,17-Diol; 16beta-benzyl-E2; 16beta-Benzylestradiol; BDBM50369739
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| Structure |
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Download2D MOL |
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| Formula |
C25H30O2
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| Canonical SMILES |
CC12CCC3C(C1CC(C2O)CC4=CC=CC=C4)CCC5=C3C=CC(=C5)O
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| InChI |
1S/C25H30O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,14,18,21-24,26-27H,7,9,11-13,15H2,1H3/t18-,21+,22+,23-,24-,25-/m0/s1
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| InChIKey |
BLOLGUACGJBTQO-SKKBRJBHSA-N
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| PubChem Compound ID | ||||
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