Chem
J-GLOBAL ID:200907000992871024
Nikkaji number:J854.176K
(1R,2S,4S,4aS,10aS)-10a-(Acetoxymethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1,2,4-triol 1-acetate
(1R,2S,4S,4aS,10aS)-10a-(アセトキシメチル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1,2,4-トリオール1-アセタート
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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:
C19 H24 O6
Molecular formula furigana:
C19-H24-O6
Molecular weight:
348.395
InChI:
InChI=1S/C19H24O6/c1-11(20)24-10-19-8-7-13-5-3-4-6-14(13)17(19)15(22)9-16(23)18(19)25-12(2)21/h3-6,15-18,22-23H,7-10H2,1-2H3/t15-,16-,17+,18-,19+/m0/s1
InChI key:
JNOUJZDPLBRLOC-QXCZDIPSSA-N
SMILES:
CC(=O)OC[C@]12CCc3ccccc3[C@@H]1[C@@H](O)C[C@H](O)[C@@H]2OC(=O)C
Systematic name (3):
(1R,2S,4S,4aS,10aS)-10a-(アセトキシメチル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1,2,4-トリオール1-アセタート
[(4bS,5S,7S,8R,8aS)-8-(アセチルオキシ)-5,7-ジヒドロキシ-4b,5,6,7,8,8a,9,10-オクタヒドロフェナントレン-8a-イル]メチル アセタート
[(4bS,5S,7S,8R,8aS)-8-(acetyloxy)-5,7-dihydroxy-4b,5,6,7,8,8a,9,10-octahydrophenanthren-8a-yl]methyl acetate
Other name (1):
(1R,2S,4S,4aS,10aS)-10a-(Acetoxymethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1,2,4-triol 1-acetate
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