Name: IVHD-valtrate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315980
Cas No:28325-56-6
常用名:IVHD-valtrate
IUPAC:[(1S,4aR,6S,7R,7aS)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl]methyl 3-methyl-2-[(3-methylbutanoyl)oxy]butanoate
IUPAC:[(1S,4aR,6S,7R,7aS)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl]methyl 3-methyl-2-[(3-methylbutanoyl)oxy]butanoate
InChI key:QPMVBTMUWDUUTJ-KZYULCMASA-N

分子式:C27H40O11
分子量:540.606
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(=O)C(OC(=O)CC(C)C)C(C)C)[C@@]1(O)C[C@H](OC(C)=O)[C@]21CO1 |t:11|
SMILES:[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(=O)C(OC(=O)CC(C)C)C(C)C)[C@@]1(O)C[C@H](OC(C)=O)[C@]21CO1 |t:11|

VHD-valtrate has anticancer effects against human ovarian cancer cells in vitro and in vivo, it is a potential therapeutic agent for ovarian cancer, providing a basis for development of the compound as a novel chemotherapeutic agent.

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