Chem
J-GLOBAL ID:200907048640177392
Nikkaji number:J1.809.646C
17α-Estradiol-3,17-disulfate
17α-エストラジオール-3,17-ジスルファート
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C18 H24 O8 S2
Molecular formula furigana:
C18-H24-O8-S2
Molecular weight:
432.500
InChI:
InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17-,18+/m1/s1
InChI key:
VPLAJGAMHNQZIY-SFFUCWETSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CC[C@H]2OS(=O)(=O)O
Systematic name (3):
二(硫酸水素)エストラ-1,3,5(10)-トリエン-3,17α-ジイル
[(1R,3aS,3bR,9bS,11aS)-11a-メチル-7-(スルホオキシ)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]オキシダンスルホン酸
[(1R,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxidanesulfonic acid
Other name (3):
Di(sulfuric acid hydrogen)estra-1,3,5(10)-triene-3,17α-diyl ester
17α-エストラジオール-3,17-ジスルファート
17α-Estradiol-3,17-disulfate
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