Chem
J-GLOBAL ID:200907049158927003
Nikkaji number:J15.881J
Pancracine
パンクラシン
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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:
C16 H17 NO4
Molecular formula furigana:
C16-H17-N-O4
Molecular weight:
287.315
InChI:
InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14-/m0/s1
InChI key:
JKZMYBLUKAMPKM-XUXIUFHCSA-N
SMILES:
O[C@H]1C[C@@H]2N3C[C@H](C2=C[C@@H]1O)c1cc2OCOc2cc1C3
Systematic name (4):
(6aS)-5,6aα,7,8,9,11-ヘキサヒドロ-6β,11β-メタノ-6H-1,3-ベンゾジオキソロ[5,6-c][1]ベンゾアゼピン-8α,9β-ジオール
(6aS)-5,6a,7,8,9,11-ヘキサヒドロ-6β,11β-メタノ-6H-1,3-ベンゾジオキソロ[5,6-c][1]ベンゾアゼピン-8α,9β-ジオール
(1S,13S,15S,16S)-5,7-ジオキサ-12-アザペンタシクロ[10.6.1.02,10 .04,8 .013,18 ]ノナデカ-2,4(8),9,17-テトラエン-15,16-ジオール
(1S,13S,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10 .04,8 .013,18 ]nonadeca-2,4(8),9,17-tetraene-15,16-diol
Other name (5):
パンクラシン
Pancracine
(6aS)-5,6a,7,8,9,11-Hexahydro-6β,11β-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8α,9β-diol
(-)-パンクラシン
(-)-Pancracine
CAS registry number:
21416-14-8
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