Name: Bourjotinolone A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317096
Cas No:6985-35-9
常用名:Bourjotinolone A
别名:21,24R-Epoxy-23R,25-dihydroxytirucall-7-en-3-one
别名:21,24R-Epoxy-23R,25-dihydroxytirucall-7-en-3-one
IUPAC:(1S,3aS,5aR,9aR,9bR,11aS)-1-[(3S,5R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,5aR,9aR,9bR,11aS)-1-[(3S,5R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:RNETYSXHFSDFMM-ASJQFKMWSA-N

分子式:C30H48O4
分子量:472.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@]1([H])COC([C@H](O)C1)C(C)(C)O |t:6,@:34|
SMILES:[H][C@]1(CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@]1([H])COC([C@H](O)C1)C(C)(C)O |t:6,@:34|

Bourjotinolone A是一种天然产物，属于芸香科黄柏属，其产品编号为 TN5943，CAS号为 6985-35-9。Bourjotinolone A可用作对照参考。

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