Chem
J-GLOBAL ID:200907055365631637
Nikkaji number:J112.451J
6,7-Didehydro-17β-estradiol
6,7-ジデヒドロ-17β-エストラジオール
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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 H22 O2
Molecular formula furigana:
C18-H22-O2
Molecular weight:
270.372
InChI:
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChI key:
VVLCELUSWGWMSW-ZBRFXRBCSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](C=Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Systematic name (5):
エストラ-1,3,5(10),6-テトラエン-3,17β-ジオール
(17β)-エストラ-1,3,5(10),6-テトラエン-3,17-ジオール
6,7-ジデヒドロ-17β-エストラジオール
(1S,3aS,3bR,9bS,11aS)-11a-メチル-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
(1S,3aS,3bR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (2):
(17β)-Estra-1,3,5(10),6-tetrene-3,17-diol
6,7-Didehydro-17β-estradiol
CAS registry number:
7291-41-0
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