NCX 1000
HIT214314657
sdf文件结构编辑类似物检索
HIT ID: HIT214314657
Cas No: 401519-96-8
分子式: C38H55NO10
分子量: 685.855
常用名: NCX 1000
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxoprop-1-en-1-yl]phenyl (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
IUPAC: 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxoprop-1-en-1-yl]phenyl (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)Oc1ccc(\C=C\C(=O)OCCCCON(=O)=O)cc1OC
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)Oc1ccc(\C=C\C(=O)OCCCCON(=O)=O)cc1OC
InChI key: WTAVOESJEWSDJC-OBOLPPCUSA-N
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