Name: 24-Methylenecycloartanyl ferulate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323862
Cas No:469-36-3
常用名:24-Methylenecycloartanyl ferulate
常用名:24-Methylenecycloartanyl ferulate
IUPAC:(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
IUPAC:(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI key:JBSUVXVGZSMGDJ-UAYHFFENSA-N

分子式:C41H60O4
分子量:616.927
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(=O)C=Cc1ccc(O)c(OC)c1)C4(C)C)[C@H](C)CCC(=C)C(C)C |w:25.28|
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(=O)C=Cc1ccc(O)c(OC)c1)C4(C)C)[C@H](C)CCC(=C)C(C)C |w:25.28|

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