Name: Dibritannilactone B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315833
Cas No:1829580-18-8
常用名:Dibritannilactone B
IUPAC:(4R)-4-[(1'R,2'R,3S,3aR,4R,4'R,7'R,7aS,8'S,12'S,15'S)-15'-(acetyloxy)-4-hydroxy-2',6,7',11'-tetramethyl-2,6'-dioxo-3a,4,7,7a-tetrahydro-2H-5'-oxaspiro[1-benzofuran-3,13'-tetracyclo[10.2.1.0^{1,10}.0^{4,8}]pentadecan]-10'-en-5-yl]pentyl acetate
IUPAC:(4R)-4-[(1'R,2'R,3S,3aR,4R,4'R,7'R,7aS,8'S,12'S,15'S)-15'-(acetyloxy)-4-hydroxy-2',6,7',11'-tetramethyl-2,6'-dioxo-3a,4,7,7a-tetrahydro-2H-5'-oxaspiro[1-benzofuran-3,13'-tetracyclo[10.2.1.0^{1,10}.0^{4,8}]pentadecan]-10'-en-5-yl]pentyl acetate
InChI key:GYBHZJHMFHLPHC-QTHZUBJESA-N

分子式:C34H46O9
分子量:598.733
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC(C)=C([C@H](C)CCCOC(C)=O)[C@H](O)[C@@]1([H])[C@@]1(C[C@]34[C@@H](OC(C)=O)[C@H]1C(C)=C3C[C@@]1([H])[C@@H](C)C(=O)O[C@]1([H])C[C@H]4C)C(=O)O2 |c:31,t:4,TLB:23:22:19.20:30.28|
SMILES:[H][C@]12CC(C)=C([C@H](C)CCCOC(C)=O)[C@H](O)[C@@]1([H])[C@@]1(C[C@]34[C@@H](OC(C)=O)[C@H]1C(C)=C3C[C@@]1([H])[C@@H](C)C(=O)O[C@]1([H])C[C@H]4C)C(=O)O2 |c:31,t:4,TLB:23:22:19.20:30.28|

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