Name: Compound T127666
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213123802
Cas No:
常用名:Compound T127666
别名:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2'R,4'S,5R,7'S,8'S,9'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-2',8'-dioloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
别名:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2'R,4'S,5R,7'S,8'S,9'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-2',8'-dioloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2'R,4'S,5R,7'S,8'S,9'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-2',8'-dioloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2'R,4'S,5R,7'S,8'S,9'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-2',8'-dioloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:DGFVATVOFRGGFO-KHOVTGTPSA-N

分子式:C39H62O14
分子量:754.911
氢键供体数 (HBD):8
氢键受体数 (HBA):14
LogP:0.614
SMILES:[H][C@@]12CC=C3C[C@H](CC[C@]3(C)C1CC[C@@]1(C)[C@@]2(O)C[C@@H]2OC3(CC[C@@H](C)CO3)[C@@H](C)[C@]12O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:3|
SMILES:[H][C@@]12CC=C3C[C@H](CC[C@]3(C)C1CC[C@@]1(C)[C@@]2(O)C[C@@H]2OC3(CC[C@@H](C)CO3)[C@@H](C)[C@]12O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:3|

(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'R,2'R,4'S,5R,7'S,8'S,9'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-2',8'-dioloxy]oxan-3-yl]oxy}-6-methyloxane-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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