Name: Compound TN12874
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619695
Cas No:
常用名:Compound TN12874
别名:(1R,3S,6S,7Z,13S,16R,17R,21S,22S)-17-{[(2R,4R,5S,6R)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0^{1,6}.0^{13,22}.0^{16,21}]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
别名:(1R,3S,6S,7Z,13S,16R,17R,21S,22S)-17-{[(2R,4R,5S,6R)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0^{1,6}.0^{13,22}.0^{16,21}]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
IUPAC:(1R,3S,6S,7Z,13S,16R,17R,21S,22S)-17-{[(2R,4R,5S,6R)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0^{1,6}.0^{13,22}.0^{16,21}]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
IUPAC:(1R,3S,6S,7Z,13S,16R,17R,21S,22S)-17-{[(2R,4R,5S,6R)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0^{1,6}.0^{13,22}.0^{16,21}]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
InChI key:InChIKey=AYWCAYMAGISFMN-JIHYKXIFSA-N

分子式:C41H56O14
分子量:772.885
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:4.297
SMILES:C[C@H]1C[C@@]23OC(=O)C(OC(=O)[C@@]4(C)[C@@H](CCCC\C=C/[C@H]2C=C1C(O)=O)C=C[C@H]1[C@@H](CCC[C@H]41)O[C@H]1C[C@@H](O)[C@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)=C3O
SMILES:C[C@H]1C[C@@]23OC(=O)C(OC(=O)[C@@]4(C)[C@@H](CCCC\C=C/[C@H]2C=C1C(O)=O)C=C[C@H]1[C@@H](CCC[C@H]41)O[C@H]1C[C@@H](O)[C@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)=C3O

(1R,3S,6S,7Z,13S,16R,17R,21S,22S)-17-{[(2R,4R,5S,6R)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0^{1,6}.0^{13,22}.0^{16,21}]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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