Janthitrem G
HIT214319373
sdf文件结构编辑类似物检索
HIT ID: HIT214319373
Cas No: 90986-51-9
分子式: C39H51NO6
分子量: 629.838
常用名: Janthitrem G
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,6S,9R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0^{2,15}.0^{3,12}.0^{6,11}.0^{18,30}.0^{20,28}.0^{22,27}]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
IUPAC: (2S,3R,6S,9R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0^{2,15}.0^{3,12}.0^{6,11}.0^{18,30}.0^{20,28}.0^{22,27}]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
SMILES: [H][C@]12Cc3c([nH]c4cc5C6=CC(C)(C)OC(C)(C)[C@@]6([H])Cc5cc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])OC([C@H](OC(C)=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:44,t:9,@:45|
SMILES: [H][C@]12Cc3c([nH]c4cc5C6=CC(C)(C)OC(C)(C)[C@@]6([H])Cc5cc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])OC([C@H](OC(C)=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:44,t:9,@:45|
InChI key: PGYSJEQVCATFBQ-DKMUDCGLSA-N
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