Name: Compound TN12620
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219156662
Cas No:
常用名:Compound TN12620
别名:(2R,3R,4S,5S,6R)-2-{4-[(2S,4S,8S,9S,13R,14R,16S)-14-hydroxy-7,9,13-trimethyl-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl]-2-methylidenebutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
别名:(2R,3R,4S,5S,6R)-2-{4-[(2S,4S,8S,9S,13R,14R,16S)-14-hydroxy-7,9,13-trimethyl-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl]-2-methylidenebutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{4-[(2S,4S,8S,9S,13R,14R,16S)-14-hydroxy-7,9,13-trimethyl-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl]-2-methylidenebutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{4-[(2S,4S,8S,9S,13R,14R,16S)-14-hydroxy-7,9,13-trimethyl-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl]-2-methylidenebutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:MMLSKSNLQNOOHY-YQLHNHKQSA-N

分子式:C39H60O14
分子量:752.895
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:-1.27
SMILES:[H][C@]12C[C@@]3([H])C4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]3(C)[C@@]1([H])C(C)=C(CCC(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES:[H][C@]12C[C@@]3([H])C4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]3(C)[C@@]1([H])C(C)=C(CCC(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

(2R,3R,4S,5S,6R)-2-{4-[(2S,4S,8S,9S,13R,14R,16S)-14-hydroxy-7,9,13-trimethyl-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl]-2-methylidenebutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol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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