Chem
J-GLOBAL ID:200907015013500115
Nikkaji number:J5.967F
Equilin
エキリン
Download MOL file
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 H20 O2
Molecular formula furigana:
C18-H20-O2
Molecular weight:
268.356
InChI:
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
InChI key:
WKRLQDKEXYKHJB-HFTRVMKXSA-N
SMILES:
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O
Systematic name (3):
3-ヒドロキシエストラ-1,3,5(10),7-テトラエン-17-オン
(3aS,9bS,11aS)-7-ヒドロキシ-11a-メチル-1H,2H,3H,3aH,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-オン
(3aS,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (4):
エキリン
Equilin
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
エクイリン
CAS registry number:
474-86-2
Regulation number (2):
Application (2):
steroid hormone
, estrogen
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