Name: Ecdysterone 2,3:20,22-diacetonide
Rating: 5 (10 reviews)

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HIT ID:HIT107285415
Cas No:22798-98-7
常用名:Ecdysterone 2,3:20,22-diacetonide
常用名:Ecdysterone 2,3:20,22-diacetonide
IUPAC:(1R,2R,4S,8R,10R,14S,17S,18R)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icos-12-en-11-one
IUPAC:(1R,2R,4S,8R,10R,14S,17S,18R)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icos-12-en-11-one
InChI key:WXFMGCVRGSIXOB-APTIWFLNSA-N

分子式:C33H52O7
分子量:560.772
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:3.851
SMILES:CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C |t:20|
SMILES:CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C |t:20|

Due to the multi-drug resistance reversal activity of the less polar ecdysteroids, several new products( including 20-hydroxyecdysone,20-hydroxyecdysone 2,3;20,22-diacetonide) are promising for being tested against various cancer cell lines.

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