Chem
J-GLOBAL ID:200907075117864413
Nikkaji number:J2.055.970E
3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
3,4-ジヒドロキシ-9,10-セコアンドロスタ-1,3,5(10)-トリエン-9,17-ジオン
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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:
C19 H24 O4
Molecular formula furigana:
C19-H24-O4
Molecular weight:
316.397
InChI:
InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1
InChI key:
YUHVBHDSVLKFNI-NJSLBKSFSA-N
SMILES:
Cc1ccc(O)c(O)c1CC[C@H]1[C@@H]2CCC(=O)[C@@]2(C)CCC1=O
Systematic name (3):
3,4-ジヒドロキシ-9,10-セコアンドロスタ-1,3,5(10)-トリエン-9,17-ジオン
(3aS,4S,7aS)-4-[2-(2,3-ジヒドロキシ-6-メチルフェニル)エチル]-7a-メチル-オクタヒドロ-1H-インデン-1,5-ジオン
(3aS,4S,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-octahydro-1H-indene-1,5-dione
Other name (1):
3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
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