Phenylpyropene C
HIT214434915
sdf文件结构编辑类似物检索
HIT ID: HIT214434915
Cas No: 419532-92-6
分子式: C28H34O5
分子量: 450.575
常用名: Phenylpyropene C
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (5aR,7aR,9S,11aS,11bR)-5a,8,8,11a-tetramethyl-1-oxo-3-phenyl-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-9-yl acetate
IUPAC: (5aR,7aR,9S,11aS,11bR)-5a,8,8,11a-tetramethyl-1-oxo-3-phenyl-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-9-yl acetate
SMILES: [H][C@@]12CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)-c1ccccc1
SMILES: [H][C@@]12CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)-c1ccccc1
InChI key: MIBRSIZECYPMLX-KZEXJIRGSA-N
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