28-Deoxybetulin methyleneamine
HIT214322019
sdf文件结构编辑类似物检索
HIT ID: HIT214322019
Cas No: 1025068-94-3
分子式: C31H53NO
分子量: 455.771
常用名: 28-Deoxybetulin methyleneamine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(2-aminoethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
IUPAC: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(2-aminoethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
SMILES: [H][C@]12[C@@H](CC[C@]1(CCN)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
SMILES: [H][C@]12[C@@H](CC[C@]1(CCN)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
InChI key: YPKGNYKTNKKLIO-UPXNPTSPSA-N
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TargetMol
SC
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