Chem
J-GLOBAL ID:200907076216209350
Nikkaji number:J230.932G
Specionin
スペシオニン
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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:
C20 H26 O8
Molecular formula furigana:
C20-H26-O8
Molecular weight:
394.420
InChI:
InChI=1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1
InChI key:
MQCIJEYGQHWJFX-VZNPGGIZSA-N
SMILES:
CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)cc3)[C@@H]3O[C@]3(CO)[C@H]2[C@@H](OCC)O1
Systematic name (4):
(1aS,1bα,5aα,6aβ)-2β,4α-ジエトキシオクタヒドロ-1aβ-ヒドロキシメチルオキシレノ[4,5]シクロペンタ[1,2-c]ピラン-6α-オール6-(4-ヒドロキシベンゾアート)
4-ヒドロキシ安息香酸(1aS,1bα,5aα,6aβ)-2β,4α-ジエトキシオクタヒドロ-1aβ-(ヒドロキシメチル)オキシレノ[4,5]シクロペンタ[1,2-c]ピラン-6α-イル
(1S,2S,4S,5S,6R,8S,10S)-8,10-ジエトキシ-2-(ヒドロキシメチル)-3,9-ジオキサトリシクロ[4.4.0.02,4 ]デカン-5-イル 4-ヒドロキシベンゾアート
(1S,2S,4S,5S,6R,8S,10S)-8,10-diethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4 ]decan-5-yl 4-hydroxybenzoate
Other name (5):
(-)-Specionin
(-)-スペシオニン
4-Hydroxybenzoic acid (1aS,1bα,5aα,6aβ)-2β,4α-diethoxyoctahydro-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6α-yl ester
スペシオニン
Specionin
CAS registry number:
87946-74-5
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