Name: 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213887604
Cas No:
常用名:2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,
常用名:2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,
IUPAC:(2R,3R,4R,6S,7R,12R,13aR)-2,3,4,6,13a-pentakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,12H,13H,13aH-cyclopenta[12]annulen-7-yl 2-methylpropanoate
IUPAC:(2R,3R,4R,6S,7R,12R,13aR)-2,3,4,6,13a-pentakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,12H,13H,13aH-cyclopenta[12]annulen-7-yl 2-methylpropanoate
InChI key:OSDVNRJELRKKGM-WLQFBFIXSA-N

分子式:C34H46O14
分子量:678.728
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)C2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)C1=O)OC(C)=O |t:38|
SMILES:CC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)C2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)C1=O)OC(C)=O |t:38|

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