6-Hydroxy-3-oxo-20(29)-lupen-28-oic acid
HIT213123864
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HIT ID: HIT213123864
Cas No: 106327-33-7
分子式: C30H46O4
分子量: 470.694
常用名: 6-Hydroxy-3-oxo-20(29)-lupen-28-oic acid
常用名: 6-Hydroxy-3-oxo-20(29)-lupen-28-oic acid
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 5.895
IUPAC: (1R,3aS,5aR,5bR,7S,11aR,13aR)-7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
IUPAC: (1R,3aS,5aR,5bR,7S,11aR,13aR)-7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
SMILES: [H][C@]12CCC3[C@@]4(C)CCC(=O)C(C)(C)C4[C@@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@H](C21)C(C)=C)C(O)=O |@@:11|
SMILES: [H][C@]12CCC3[C@@]4(C)CCC(=O)C(C)(C)C4[C@@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@H](C21)C(C)=C)C(O)=O |@@:11|
InChI key: FIADIPXEFYWJQV-VTZAASTBSA-N
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