9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
HIT213886886
sdf文件结构编辑类似物检索
HIT ID: HIT213886886
Cas No: 172486-22-5
分子式: C31H40O10
分子量: 572.651
常用名: 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
常用名: 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3aS,4S,4aR,6S,8S,8aS,9R,10R)-4,8-bis(acetyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2H,3H,3aH,4H,4aH,5H,6H,7H,8H,8aH,9H,10H-cyclohexa[f]azulen-9-yl benzoate
IUPAC: (2S,3aS,4S,4aR,6S,8S,8aS,9R,10R)-4,8-bis(acetyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2H,3H,3aH,4H,4aH,5H,6H,7H,8H,8aH,9H,10H-cyclohexa[f]azulen-9-yl benzoate
SMILES: CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]3(C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]12C)C(C)(C)O |c:21|
SMILES: CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]3(C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]12C)C(C)(C)O |c:21|
InChI key: ZJRNRUMUBVLZKF-SRXXEXFGSA-N
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