API0232328
Estradiol Valerate
Estradiol Hemihydrate is an estrogen.
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CAS No.
979-32-8
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Synonyms
estradiol valerate; 979-32-8; Estradiol 17-valerate
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CHEMBL ID
CHEMBL1511
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Molecule Type
Small molecule
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Compound CID
13791
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Molecular Weight (g/mol)
356.5
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Molecular Formula
C23H32O3
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InChI
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
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InChIKey
RSEPBGGWRJCQGY-RBRWEJTLSA-N
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SMILES
CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
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IUPAC Name
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
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Exact Mass (Da)
356.23514488
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Monoisotopic Mass (Da)
356.23514488
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