Name: Podecdysone B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666550
Cas No:22612-27-7
常用名:Podecdysone B
别名:罗汉松甾酮B
IUPAC:(1S,5aR,7R,8S,9aS,11aR)-7,8-dihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(1S,5aR,7R,8S,9aS,11aR)-7,8-dihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChI key:AEFMTBQZWMUASH-IILZZRPCSA-N

分子式:C27H42O6
分子量:462.627
氢键供体数 (HBD):5
氢键受体数 (HBA):6
LogP:0.80427206
SMILES:[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](O)[C@H](O)C[C@@]1([H])C(=O)C3)[C@@](C)(O)[C@H](O)CCC(C)(C)O |c:5,t:3|
SMILES:[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](O)[C@H](O)C[C@@]1([H])C(=O)C3)[C@@](C)(O)[C@H](O)CCC(C)(C)O |c:5,t:3|

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