Name: Compound TN12639
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219156688
Cas No:33285-16-4
常用名:Compound TN12639
别名:(1R,5aS,7S,9aR,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(1S)-1-[(2R,5S,6S)-6-hydroxy-5-methyloxan-2-yl]ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
别名:(1R,5aS,7S,9aR,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(1S)-1-[(2R,5S,6S)-6-hydroxy-5-methyloxan-2-yl]ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(1R,5aS,7S,9aR,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(1S)-1-[(2R,5S,6S)-6-hydroxy-5-methyloxan-2-yl]ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(1R,5aS,7S,9aR,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(1S)-1-[(2R,5S,6S)-6-hydroxy-5-methyloxan-2-yl]ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChI key:MLAYKJNHCRIBKC-LAGHWXHJSA-N

分子式:C39H62O13
分子量:738.912
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:2.07
SMILES:[H][C@@]1(CCC2C3=CC(=O)[C@@]4([H])C[C@H](CC[C@]4(C)C3CC[C@]12C)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)[C@H](C)[C@@]1([H])CC[C@H](C)[C@@H](O)O1
SMILES:[H][C@@]1(CCC2C3=CC(=O)[C@@]4([H])C[C@H](CC[C@]4(C)C3CC[C@]12C)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)[C@H](C)[C@@]1([H])CC[C@H](C)[C@@H](O)O1

(1R,5aS,7S,9aR,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(1S)-1-[(2R,5S,6S)-6-hydroxy-5-methyloxan-2-yl]ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one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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