Compound TN12356 | (7S,9aR,11aS)-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-[1-(6-methoxy-5-methyloxan-2-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one

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HIT ID:HIT219156567
Cas No:
常用名:Compound TN12356
别名:(7S,9aR,11aS)-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-[1-(6-methoxy-5-methyloxan-2-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
别名:(7S,9aR,11aS)-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-[1-(6-methoxy-5-methyloxan-2-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
IUPAC:(7S,9aR,11aS)-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-[1-(6-methoxy-5-methyloxan-2-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
IUPAC:(7S,9aR,11aS)-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-[1-(6-methoxy-5-methyloxan-2-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
InChI key:XAEJAEFSIILJPC-UXQVBCRASA-N

分子式:C40H66O13
分子量:754.955
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:2.759
SMILES:COC1OC(CCC1C)C(C)C1CCC2C3CC(=O)C4C[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
SMILES:COC1OC(CCC1C)C(C)C1CCC2C3CC(=O)C4C[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

(7S,9aR,11aS)-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-[1-(6-methoxy-5-methyloxan-2-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-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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