Miniolutelide A
HIT212525916
sdf文件结构编辑类似物检索
HIT ID: HIT212525916
Cas No: 1012080-79-3
分子式: C26H32O10
分子量: 504.532
常用名: Miniolutelide A
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 2.949
IUPAC: (1S,2S,3R,11R,12S,14R,17R,19S,21R)-21-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.0^{2,12}.0^{5,10}.0^{17,21}]henicosa-4,9-dien-3-yl methyl carbonate
IUPAC: (1S,2S,3R,11R,12S,14R,17R,19S,21R)-21-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.0^{2,12}.0^{5,10}.0^{17,21}]henicosa-4,9-dien-3-yl methyl carbonate
SMILES: [H][C@]12OC(=O)[C@]3(C)C[C@@]4([H])[C@@H](C)C5=CC(=O)OC(C)(C)C5=C[C@@H](OC(=O)OC)[C@]4(C)[C@]([H])(C(=O)[C@H](C)O1)[C@]23O |c:21,t:12|
SMILES: [H][C@]12OC(=O)[C@]3(C)C[C@@]4([H])[C@@H](C)C5=CC(=O)OC(C)(C)C5=C[C@@H](OC(=O)OC)[C@]4(C)[C@]([H])(C(=O)[C@H](C)O1)[C@]23O |c:21,t:12|
InChI key: NLXBYYROKNGJOC-JPEUAKAISA-N
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