Methyl dodonate A
HIT214317012
sdf文件结构编辑类似物检索
HIT ID: HIT214317012
Cas No: 349534-70-9
分子式: C21H28O4
分子量: 344.451
常用名: Methyl dodonate A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1aS,4S,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-4-hydroxy-5,6-dimethyl-1H,1aH,4H,4aH,5H,6H,7H,8H-cyclopropa[e]naphthalene-1a-carboxylate
IUPAC: methyl (1aS,4S,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-4-hydroxy-5,6-dimethyl-1H,1aH,4H,4aH,5H,6H,7H,8H-cyclopropa[e]naphthalene-1a-carboxylate
SMILES: [H][C@]12[C@@H](O)C=C[C@]3(C[C@@]13CC[C@@H](C)[C@]2(C)CCc1ccoc1)C(=O)OC |c:4|
SMILES: [H][C@]12[C@@H](O)C=C[C@]3(C[C@@]13CC[C@@H](C)[C@]2(C)CCc1ccoc1)C(=O)OC |c:4|
InChI key: SMHNYOMQXSRPAD-OWHLRFHBSA-N
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