Name: Calonysterone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219156561
Cas No:51787-31-6
常用名:Calonysterone
IUPAC:(1S,7R,8S,9aR,11aR)-5,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
IUPAC:(1S,7R,8S,9aR,11aR)-5,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
InChI key:XAKKXZNYERXAIY-HTYOSDJUSA-N

分子式:C27H40O7
分子量:476.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:0.496
SMILES:[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](O)[C@H](O)CC1=C(O)C3=O)[C@@](C)(O)[C@H](O)CCC(C)(C)O
SMILES:[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](O)[C@H](O)CC1=C(O)C3=O)[C@@](C)(O)[C@H](O)CCC(C)(C)O

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