(Cholest-5-en-3β-yloxy)acetic acid
HIT218903817
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HIT ID: HIT218903817
Cas No: 30656-77-0
分子式: C29H48O3
分子量: 444.7
常用名: (Cholest-5-en-3β-yloxy)acetic acid
常用名: (Cholest-5-en-3β-yloxy)acetic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}acetic acid
IUPAC: 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}acetic acid
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCC(O)=O)[C@H](C)CCCC(C)C
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCC(O)=O)[C@H](C)CCCC(C)C
InChI key: VHSCWUOENVSGKM-OHPSOFBHSA-N
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