Name: 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT213886886
Cas No:172486-22-5
常用名:9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
常用名:9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
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
InChI key:ZJRNRUMUBVLZKF-SRXXEXFGSA-N

分子式:C31H40O10
分子量:572.651
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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|

9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A is a natural product from Taxus baccata L. cv. stricta.

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