HCID115127

Ponasterone A

(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C27H44O6464.6 g/molCAS 13408-56-5

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
InChIKey: PJYYBCXMCWDUAZ-JJJZTNILSA-N
分子式: C27H44O6
平均分子量: 464.6 g/mol
单同位素质量: 464.31378912

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 118 Å²
氢键供体: 5
氢键受体: 6
可旋转键: 5
重原子: 33
形式电荷: 0
复杂度: 823

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 45 条

Ponasterone A25-deoxyecdysterone13408-56-525-DeoxycedysteroneDTXSID0040595(22R)-2beta,3beta,14,20,22-pentahydroxy-5beta-cholest-7-en-6-one84986BG3NG(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-oneCHEBI:28135Cholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-25-deoxy-20-ecdysone25d20E(2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-6-oneRefChem:175229DTXCID80205952 beta,3 beta,14,20,22-Pentahydroxy-5 beta-cholest-7-en-6-one2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONECHEMBL5497892beta,3beta,14,20,22-Pentahydroxy-5beta-cholest-7-en-6-oneCholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2.beta.,3.beta.,5.beta.,22R)-

REACTIONS

参与反应

2 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536354B2

查看

uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09243263B2

查看