35241-82-8 (20-羟基蜕皮素,20-Hydroxyecdyson)

20-羟基蜕皮素(35241-82-8)名称与标识符

名称

英文别名:
20-Hydroxyecdyson;2beta,3beta,14,20,22betaF,25-hexahydroxy-(5beta)-cholest-7-en-6-one;beta-ecdysone;Crustecdyson;crustecdysone;Crystecdyson;ecdysterone;?-Ecdysterone;5289-74-7;beta-Ecdysterone;20-OH ecdysone;35241-82-8;MLSMR;5alpha-20-Hydroxyecdysone;22-epi-20-Hydroxyecdysone;3-epi-20-Hydroxyecdysone;(+)-5alpha-20-Hydroxyecdysone;20-hydroxyecdysone;SMR000440684;Polypodine A;MLS000876951;Polypodine C;Isoinokosterone;Commisterone;Viticosterone;"20-hydroxyecdysone;20-Hydroxy ?-ecdysone;

标识符

InChIKey:
NKDFYOWSKOHCCO-UHFFFAOYSA-N
Inchi:
1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3
SMILES:
OC12CCC(C(C)(C(CCC(C)(C)O)O)O)C1(C)CCC1C2=CC(C2CC(O)C(O)CC21C)=O

20-羟基蜕皮素(35241-82-8)物化性质

计算特性

  • 氢键供体数量 : 6
  • 氢键受体数量 : 7
  • 重原子数量 : 34
  • 疏水参数计算参考值(XlogP) : 1.049