Name: Compound T130473
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212522925
Cas No:579-13-5
常用名:Compound T130473
别名:(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione
别名:(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione
IUPAC:(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione
IUPAC:(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione
InChI key:MNULEGDCPYONBU-WOVPUGNCSA-N

分子式:C45H74O11
分子量:791.076
氢键供体数 (HBD):5
氢键受体数 (HBA):10
LogP:7.448
SMILES:[H][C@]1(C[C@H](C)O)O[C@@]2(CC[C@H]1C)O[C@]1([H])CC[C@H](CC)\C=C\C=C\C[C@H](C)C(O)[C@](C)(O)C(=O)[C@H](C)C(O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)\C=C\C(=O)O[C@@]([H])([C@H]1C)[C@H]2C |t:21,23,49|
SMILES:[H][C@]1(C[C@H](C)O)O[C@@]2(CC[C@H]1C)O[C@]1([H])CC[C@H](CC)\C=C\C=C\C[C@H](C)C(O)[C@](C)(O)C(=O)[C@H](C)C(O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)\C=C\C(=O)O[C@@]([H])([C@H]1C)[C@H]2C |t:21,23,49|

(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione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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