18325-99-0 ((3aR)-3a,10a-二羟基-5-羟甲基-7c-异丙烯基-2,10t-二甲基-(3aR,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-八氢苯并[e]azulen-3,8-dion,Crotophorbolon,(3aR)-3a,10a-Dihydroxy-5-hydroxymethyl-7c-isopropenyl-2,10t-dimethyl-(3ar,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-octahydro-benz[e]azulen-3,8-dion, Crotophorbolon)

CAS号:
18325-99-0
中文名称:
(3aR)-3a,10a-二羟基-5-羟甲基-7c-异丙烯基-2,10t-二甲基-(3aR,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-八氢苯并[e]azulen-3,8-dion,Crotophorbolon
英文名称:
(3aR)-3a,10a-Dihydroxy-5-hydroxymethyl-7c-isopropenyl-2,10t-dimethyl-(3ar,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-octahydro-benz[e]azulen-3,8-dion, Crotophorbolon
分子式:
C20H26O5
分子量:
346.417446613312

(3aR)-3a,10a-二羟基-5-羟甲基-7c-异丙烯基-2,10t-二甲基-(3aR,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-八氢苯并[e]azulen-3,8-dion,Crotophorbolon(18325-99-0)名称与标识符

名称

英文别名:
(3aR)-3a,10a-Dihydroxy-5-hydroxymethyl-7c-isopropenyl-2,10t-dimethyl-(3ar,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-octahydro-benz[e]azulen-3,8-dion, Crotophorbolon;(3aR)-3a,10a-dihydroxy-5-hydroxymethyl-7c-isopropenyl-2,10t-dimethyl-(3ar,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-octahydro-benz[e]azulene-3,8-dione, crotophorbolone;4beta,9alpha,20-trihydroxy-13,15-seco-1,6,15-tigliatriene-3,13-dione;Crotophorbolon;crotophorbolone;langduin F;4β,9α,20-trihydroxy-13,15-seco-1,6,15-tigliatriene-3,13-dione;(3aR)-3a,10a-Dihydroxy-5-hydroxymethyl-7c-isopropenyl-2,10t-dimethyl-(3ar,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-octahydro-benz[e]azulen-3,8-dion;(3aR)-3a,10a-dihydroxy-5-hydroxymethyl-7c-isopropenyl-2,10t-dimethyl-(3ar,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-octahydro-benz[e]azulene-3,8-dione;

标识符

InChIKey:
BSVMBYATENQPHV-UHFFFAOYSA-N
Inchi:
1S/C20H26O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,12,14,16-17,21,24-25H,1,6,8-9H2,2-4H3
SMILES:
CC1C2(C(C=C(CC3(C(=O)C(C)=CC32)O)CO)C(C(=C)C)C(=O)C1)O

(3aR)-3a,10a-二羟基-5-羟甲基-7c-异丙烯基-2,10t-二甲基-(3aR,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-八氢苯并[e]azulen-3,8-dion,Crotophorbolon(18325-99-0)物化性质

实验特性

  • LogP : 1.33360
  • PSA : 94.83000

计算特性

  • 精确分子量 : 346.17800

(3aR)-3a,10a-二羟基-5-羟甲基-7c-异丙烯基-2,10t-二甲基-(3aR,6ac,10at,10bt)-3a,4,6a,7,9,10,10a,10b-八氢苯并[e]azulen-3,8-dion,Crotophorbolon(18325-99-0)上下游