Roy-Bz
HIT214322337
sdf文件结构编辑类似物检索
HIT ID: HIT214322337
Cas No: 1246304-91-5
分子式: C36H38O8
分子量: 598.692
常用名: Roy-Bz
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4bS,8aS,9S,10S)-10-(acetyloxy)-3-(benzoyloxy)-4b,8,8-trimethyl-1,4-dioxo-2-(propan-2-yl)-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthren-9-yl benzoate
IUPAC: (4bS,8aS,9S,10S)-10-(acetyloxy)-3-(benzoyloxy)-4b,8,8-trimethyl-1,4-dioxo-2-(propan-2-yl)-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthren-9-yl benzoate
SMILES: [H][C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)C3=C(C(=O)C(OC(=O)c4ccccc4)=C(C(C)C)C3=O)[C@@]1(C)CCCC2(C)C |t:18,32|
SMILES: [H][C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)C3=C(C(=O)C(OC(=O)c4ccccc4)=C(C(C)C)C3=O)[C@@]1(C)CCCC2(C)C |t:18,32|
InChI key: JDMIZWGROWRASS-BSYZOHBLSA-N
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