Chem
J-GLOBAL ID:200907045212724479
Nikkaji number:J142.419J
3-Hydroxy-1,3,5(10),6-estratetren-17-one
6-デヒドロエストロン
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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 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/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChI key:
WTRRIQCGCGCMQA-CBZIJGRNSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](C=Cc4cc(O)ccc34)[C@@H]1CCC2=O
Systematic name (4):
3-ヒドロキシエストラ-1,3,5(10),6-テトラエン-17-オン
3-ヒドロキシ-1,3,5(10),6-エストラテトラエン-17-オン
(3aS,3bR,9bS,11aS)-7-ヒドロキシ-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-オン
(3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (3):
6-デヒドロエストロン
3-Hydroxy-1,3,5(10),6-estratetren-17-one
3-Hydroxyestra-1,3,5(10),6-tetren-17-one
CAS registry number:
2208-12-0
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