Impurity C of Alfacalcidol
HIT214315144
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HIT ID: HIT214315144
Cas No: 82266-85-1
分子式: C35H49N3O4
分子量: 575.794
常用名: Impurity C of Alfacalcidol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,7S,10R,13R,14R)-7-[(3S,5S)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.0^{2,6}.0^{10,14}]hexadec-8-ene-3,5-dione
IUPAC: (1R,7S,10R,13R,14R)-7-[(3S,5S)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.0^{2,6}.0^{10,14}]hexadec-8-ene-3,5-dione
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C[C@@]([H])(C4=C(C)[C@@H](O)C[C@@H](O)C4)n4n(c(=O)n(-c5ccccc5)c4=O)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |c:10,t:6|
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C[C@@]([H])(C4=C(C)[C@@H](O)C[C@@H](O)C4)n4n(c(=O)n(-c5ccccc5)c4=O)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |c:10,t:6|
InChI key: PTIHYNIKYFVMFI-NMEOVDRUSA-N
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