142735-64-6 ((20R,22R)-20,22-[(二甲基亚甲基)二氧基]-2β,3β,11α,14α-四羟基-5β-胆甾-7-烯-6-酮,(20R,22R)-20,22-[(dimethylmethylene)dioxy]-2beta,3beta,11alpha,14alpha-tetrahydroxy-5beta-cholest-7-en-6-one)

CAS号:
142735-64-6
中文名称:
(20R,22R)-20,22-[(二甲基亚甲基)二氧基]-2β,3β,11α,14α-四羟基-5β-胆甾-7-烯-6-酮
英文名称:
(20R,22R)-20,22-[(dimethylmethylene)dioxy]-2beta,3beta,11alpha,14alpha-tetrahydroxy-5beta-cholest-7-en-6-one
分子式:
C30H48O7
分子量:
520.697930335999
植物源:

(20R,22R)-20,22-[(二甲基亚甲基)二氧基]-2β,3β,11α,14α-四羟基-5β-胆甾-7-烯-6-酮(142735-64-6)名称与标识符

名称

中文别名:
20,22-异丙叉基筋骨草甾酮C;
英文别名:
(20R,22R)-20,22-[(dimethylmethylene)dioxy]-2beta,3beta,11alpha,14alpha-tetrahydroxy-5beta-cholest-7-en-6-one;ajugasterone C 20,22-acetonide;ajugasterone C 20,22-monoacetonide;ajugasterone C-20,22-acetonide;ajugasterone C-20,22-monoacetonide;Cholest-7-en-6-one, 2,3,11,14-tetrahydroxy-20,22-[(1-methylethylidene)bis(oxy)]-, (2β,3β,5β,11α,22R)-;

标识符

InChIKey:
HNFIAGLFDMBJTE-UHFFFAOYSA-N
Inchi:
1S/C30H48O7/c1-16(2)8-9-24-29(7,37-26(3,4)36-24)23-10-11-30(35)18-13-19(31)17-12-20(32)21(33)14-27(17,5)25(18)22(34)15-28(23,30)6/h13,16-17,20-25,32-35H,8-12,14-15H2,1-7H3
SMILES:
CC(CCC1C(C2C3(C(C4C(C(C3)O)C3(C(CC(C(C3)O)O)C(=O)C=4)C)(O)CC2)C)(C)OC(C)(C)O1)C

(20R,22R)-20,22-[(二甲基亚甲基)二氧基]-2β,3β,11α,14α-四羟基-5β-胆甾-7-烯-6-酮(142735-64-6)物化性质

实验特性

  • 沸点 : 642.0±55.0 °C(Predicted)
  • 酸度系数(pKa) : 13.63±0.70(Predicted)
  • 密度 : 1.22±0.1 g/cm3(Predicted)