Chem
J-GLOBAL ID:202207011596710187
Nikkaji number:J3.782.989G
(4S,4aR,11R,11aR)-4-(dimethoxymethyl)-7-ethenyl-1-oxo-3H,4H,4aH,5H,8H,9H,10H,11H,11aH-cyclonona[c]pyran-11-carbonitrile
(4S,4aR,11R,11aR)-4-(ジメトキシメチル)-7-エテニル-1-オキソ-3H,4H,4aH,5H,8H,9H,10H,11H,11aH-シクロノナ[c]ピラン-11-カルボニトリル
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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 H25 NO4
Molecular formula furigana:
C18-H25-N-O4
Molecular weight:
319.401
InChI:
InChI=1S/C18H25NO4/c1-4-12-6-5-7-13(10-19)16-14(9-8-12)15(11-23-17(16)20)18(21-2)22-3/h4,8,13-16,18H,1,5-7,9,11H2,2-3H3/b12-8-/t13-,14+,15+,16-/m0/s1
InChI key:
PMBIIZNNCRXQHN-YDAGAQNOSA-N
SMILES:
O1C(=O)[C@@H]2[C@@H]([C@@H](C1)C(OC)OC)C/C=C(\CCC[C@H]2C#N)/C=C
Systematic name (3):
(4S,4aR,6E,11R,11aR)-1-オキソ-4-(ジメトキシメチル)-7-ビニル-1,3,4,4a,5,8,9,10,11,11a-デカヒドロシクロノナ[c]ピラン-11-カルボニトリル
(4S,4aR,11R,11aR)-4-(ジメトキシメチル)-7-エテニル-1-オキソ-1H,3H,4H,4aH,5H,8H,9H,10H,11H,11aH-シクロノナ[c]ピラン-11-カルボニトリル
(4S,4aR,11R,11aR)-4-(dimethoxymethyl)-7-ethenyl-1-oxo-1H,3H,4H,4aH,5H,8H,9H,10H,11H,11aH-cyclonona[c]pyran-11-carbonitrile
Other name (2):
(4S,4aR,11R,11aR)-4-(ジメトキシメチル)-7-エテニル-1-オキソ-3H,4H,4aH,5H,8H,9H,10H,11H,11aH-シクロノナ[c]ピラン-11-カルボニトリル
(4S,4aR,11R,11aR)-4-(dimethoxymethyl)-7-ethenyl-1-oxo-3H,4H,4aH,5H,8H,9H,10H,11H,11aH-cyclonona[c]pyran-11-carbonitrile
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