Name: Compound T128001
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212525776
Cas No:
常用名:Compound T128001
别名:(2R,3R,4S,5S,6R)-2-{[(9S,13R)-14-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
别名:(2R,3R,4S,5S,6R)-2-{[(9S,13R)-14-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(9S,13R)-14-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(9S,13R)-14-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:ZAIHTKFIGHOGLG-JWTVYZOKSA-N

分子式:C39H62O14
分子量:754.911
氢键供体数 (HBD):9
氢键受体数 (HBA):14
LogP:-1.001
SMILES:CC(CCC1=C(C)C2C(CC3C4CC=C5CC(CC(O)[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |c:4,t:13|
SMILES:CC(CCC1=C(C)C2C(CC3C4CC=C5CC(CC(O)[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |c:4,t:13|

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