2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,
HIT213887604
sdf文件结构编辑类似物检索
HIT ID: HIT213887604
Cas No:
分子式: C34H46O14
分子量: 678.728
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,
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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|
InChI key: OSDVNRJELRKKGM-WLQFBFIXSA-N
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