Chem
J-GLOBAL ID:200907008157830911
Nikkaji number:J1.538.161B
6α-Hydroxyestradiol 17-sulfate
6α-ヒドロキシエストラジオール17-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 O6 S
Molecular formula furigana:
C18-H24-O6-S
Molecular weight:
368.440
InChI:
InChI=1S/C18H24O6S/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)24-25(21,22)23/h2-3,8,12-13,15-17,19-20H,4-7,9H2,1H3,(H,21,22,23)/t12-,13-,15+,16+,17+,18+/m1/s1
InChI key:
XHTMGVWNLPFDJO-WOVZSMEKSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](C[C@H](O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2OS(=O)(=O)O
Systematic name (4):
1,3,5(10)-エストラトリエン-3,6α,17β-トリオール17-スルファート
6α-ヒドロキシエストラジオール17-スルファート
[(1S,3aS,3bR,5S,9bS,11aS)-5,7-ジヒドロキシ-11a-メチル-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
[(1S,3aS,3bR,5S,9bS,11aS)-5,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxidanesulfonic acid
Other name (2):
1,3,5(10)-Estratriene-3,6α,17β-triol 17-sulfate
6α-Hydroxyestradiol 17-sulfate
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