Name: Isomoreollic acid
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219228829
Cas No:1240792-57-7
常用名:Isomoreollic acid
IUPAC:(2Z)-4-[(1S,2S,15R,16R,17S,19R)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
IUPAC:(2Z)-4-[(1S,2S,15R,16R,17S,19R)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
InChI key:YWPUDSYPVZVGNW-NKPFVZFTSA-N

分子式:C34H40O9
分子量:592.685
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3([H])[C@@H](OC)[C@@]4([H])C(=O)c5c(O)c6C=CC(C)(C)Oc6c(CC=C(C)C)c5O[C@@]14[C@@](C\C=C(\C)C(O)=O)(OC2(C)C)C3=O
SMILES:[H][C@@]12C[C@@]3([H])[C@@H](OC)[C@@]4([H])C(=O)c5c(O)c6C=CC(C)(C)Oc6c(CC=C(C)C)c5O[C@@]14[C@@](C\C=C(\C)C(O)=O)(OC2(C)C)C3=O

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