Jatrophane VI
HIT214315988
sdf文件结构编辑类似物检索
HIT ID: HIT214315988
Cas No: 210108-90-0
分子式: C37H48O14
分子量: 716.777
常用名: Jatrophane VI
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R,3aR,4S,5S,9S,10S,11S,13R,13aS)-2,4,9,11,13-pentakis(acetyloxy)-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-1H,2H,3H,3aH,4H,5H,8H,9H,10H,11H,12H,13H,13aH-cyclopenta[12]annulen-1-yl benzoate
IUPAC: (1R,2R,3aR,4S,5S,9S,10S,11S,13R,13aS)-2,4,9,11,13-pentakis(acetyloxy)-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-1H,2H,3H,3aH,4H,5H,8H,9H,10H,11H,12H,13H,13aH-cyclopenta[12]annulen-1-yl benzoate
SMILES: [H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@](C)(C[C@]1(O)[C@@H](OC(C)=O)[C@@H](C)\C=C\C(C)(C)[C@H](OC(C)=O)[C@H](O)[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O)OC(C)=O |t:26|
SMILES: [H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@](C)(C[C@]1(O)[C@@H](OC(C)=O)[C@@H](C)\C=C\C(C)(C)[C@H](OC(C)=O)[C@H](O)[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O)OC(C)=O |t:26|
InChI key: FPNGPBYYMDKBKJ-OHGSERNNSA-N
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