Rhodojaponin III
HIT212664558
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HIT ID: HIT212664558
Cas No: 26342-66-5
分子式: C20H32O6
分子量: 368.47
常用名: Rhodojaponin III
氢键受体数 (HBA): 6
氢键供体数 (HBD): 5
LogP: -0.8665377
IUPAC: (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0^{1,11}.0^{4,9}.0^{6,8}]heptadecane-3,4,10,15,17-pentol
IUPAC: (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0^{1,11}.0^{4,9}.0^{6,8}]heptadecane-3,4,10,15,17-pentol
SMILES: C[C@@]1(O)C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H]5O[C@@H]5C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@H]3O |THB:25:24:1.3:20.21.22|
SMILES: C[C@@]1(O)C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H]5O[C@@H]5C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@H]3O |THB:25:24:1.3:20.21.22|
InChI key: VUMZHZYKXUYIHM-GLHQSWFFSA-N
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