O-Acetyljervine
HIT212717523
sdf文件结构编辑类似物检索
HIT ID: HIT212717523
Cas No: 14788-78-4
分子式: C29H41NO4
分子量: 467.65
常用名: O-Acetyljervine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 3.8262758
IUPAC: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethyl-11-oxo-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-3-yl acetate
IUPAC: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethyl-11-oxo-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-3-yl acetate
SMILES: [H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@H](CC[C@]43C)OC(C)=O)=C1C)O2 |c:39,t:26|
SMILES: [H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@H](CC[C@]43C)OC(C)=O)=C1C)O2 |c:39,t:26|
InChI key: UQVIFHXKIPQADQ-CXKDDGKJSA-N
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