Primary record
(3R,5aalpha,9balpha)-3beta-[[(2R)-2beta-Hydroxy-6beta-[1-[(4-oxo-5,5-dimethyl-4,5-dihydrofuran)-2-yl]vinyl]-5,6-dihydro-2H-pyran]-3-yl]-3abeta,6,6,9abeta-tetramethyl-8alpha-[(3-methyl-3,5-dihydroxy-5-oxopentanoyl)oxy]dodecahydro-7H-benzo[e]indene-7-one
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 400503
- SMILES
- C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]2C4=CC[C@H](O[C@H]4O)C(=C)C5=CC(=O)C(O5)(C)C)(C[C@H](C(=O)C3(C)C)OC(=O)CC(C)(CC(=O)O)O)C
- Canonical SMILES
- C=C(C1=CC(=O)C(C)(C)O1)[C@@H]1CC=C([C@@H]2CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)[C@H](OC(=O)CC(C)(O)CC(=O)O)C[C@]32C)[C@H](O)O1
名称与同义词
- Sodagnitin C
- AC1L8FR8
- CHEMBL1983716
- CTK7J1863
- NSC712401
- CID400503
- NSC-712401
- NCI60_039335
- J1.065.290A
- (3R,5aalpha,9balpha)-3beta-[[(2R)-2beta-Hydroxy-6beta-[1-[(4-oxo-5,5-dimethyl-4,5-dihydrofuran)-2-yl]vinyl]-5,6-dihydro-2H-pyran]-3-yl]-3abeta,6,6,9abeta-tetramethyl-8alpha-[(3-methyl-3,5-dihydroxy-5-oxopentanoyl)oxy]dodecahydro-7H-benzo[e]indene-7-one
- 5-[[(3R,3aR,5aR,8R,9aR,9bS)-3-[(2S,6R)-2-[1-(5,5-dimethyl-4-oxofuran-2-yl)ethenyl]-6-hydroxy-3,6-dihydro-2H-pyran-5-yl]-3a,6,6,9a-tetramethyl-7-oxo-2,3,4,5,5a,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-8-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
- 5-{[(3R,3aR,5aR,8R,9aR,9bS)-3-[(2R,6S)-6-[1-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)ethenyl]-2-hydroxy-5,6-dihydro-2H-pyran-3-yl]-3a,6,6,9a-tetramethyl-7-oxo-dodecahydro-1H-cyclopenta[a]naphthalen-8-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
- 5-{[(3r,3ar,5ar,8r,9ar,9bs)-3-{(2r,6s)-6-[1-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)ethenyl]-2-hydroxy-5,6-dihydro-2h-pyran-3-yl}-3a,6,6,9a-tetramethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-8-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
- Pentanedioic acid, mono[(3R,3aR,5aR,8R, 9aR,9bS)-3-[(2R,6S)-6-[1-(4,5-dihydro-5,5-dimethyl-4-oxo-2- furanyl)ethenyl]-5,6-dihydro-2-hydroxy-2H-pyran-3-yl]dodeca~ hydro-3a,6,6,9a-tetramethyl-7-oxo-1H-benz[e]inden-8-yl] ester, rel-(-)-