Camaric acid
HIT214315766
sdf文件结构编辑类似物检索
HIT ID: HIT214315766
Cas No: 146450-83-1
分子式: C35H52O6
分子量: 568.795
常用名: Camaric acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-21-oxahexacyclo[18.2.2.0^{1,18}.0^{2,15}.0^{5,14}.0^{6,11}]tetracos-4-ene-11-carboxylic acid
IUPAC: (1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-21-oxahexacyclo[18.2.2.0^{1,18}.0^{2,15}.0^{5,14}.0^{6,11}]tetracos-4-ene-11-carboxylic acid
SMILES: [H][C@@]12CC(C)(C)C[C@@H](OC(=O)C(\C)=C/C)[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)[C@]3(O)CC[C@]21CO3)C(O)=O |t:22|
SMILES: [H][C@@]12CC(C)(C)C[C@@H](OC(=O)C(\C)=C/C)[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)[C@]3(O)CC[C@]21CO3)C(O)=O |t:22|
InChI key: RSKOPEQHBSFOLQ-OTHZFUNLSA-N
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