112642-41-8 (2H-1-苯并吡喃-6-丙酸,8-[[2,2-二甲基-3-(1-甲基乙烯基)环丁基]甲基]-3,4,7,8-四氢-5-羟基-2,3-二甲基-8-(3-甲基-2-丁烯基)-4,7-二氧代-b-戊基-(9CI),2H-1-Benzopyran-6-propanoicacid,8-[[2,2-dimethyl-3-(1-methylethenyl)cyclobutyl]methyl]-3,4,7,8-tetrahydro-5-hydroxy-2,3-dimethyl-8-(3-methyl-2-butenyl)-4,7-dioxo-b-pentyl- (9CI))

CAS号:
112642-41-8
中文名称:
2H-1-苯并吡喃-6-丙酸,8-[[2,2-二甲基-3-(1-甲基乙烯基)环丁基]甲基]-3,4,7,8-四氢-5-羟基-2,3-二甲基-8-(3-甲基-2-丁烯基)-4,7-二氧代-b-戊基-(9CI)
英文名称:
2H-1-Benzopyran-6-propanoicacid,8-[[2,2-dimethyl-3-(1-methylethenyl)cyclobutyl]methyl]-3,4,7,8-tetrahydro-5-hydroxy-2,3-dimethyl-8-(3-methyl-2-butenyl)-4,7-dioxo-b-pentyl- (9CI)
分子式:
C34H50O6
分子量:
554.757211208344

2H-1-苯并吡喃-6-丙酸,8-[[2,2-二甲基-3-(1-甲基乙烯基)环丁基]甲基]-3,4,7,8-四氢-5-羟基-2,3-二甲基-8-(3-甲基-2-丁烯基)-4,7-二氧代-b-戊基-(9CI)(112642-41-8)名称与标识符

名称

英文别名:
2H-1-Benzopyran-6-propanoicacid,8-[[2,2-dimethyl-3-(1-methylethenyl)cyclobutyl]methyl]-3,4,7,8-tetrahydro-5-hydroxy-2,3-dimethyl-8-(3-methyl-2-butenyl)-4,7-dioxo-b-pentyl- (9CI);Caloverticillicacid C;2H-1-Benzopyran-6-propanoicacid,8-[[2,2-dimethyl-3-(1-methylethenyl)cyclobutyl]methyl]-3,4,7,8-tetrahydro-5-hydroxy-2,3-dimet;2H-1-Benzopyran-6-propanoic acid, 8-[[2,2-dimethyl-3-(1-methylethenyl)cyclobutyl]methyl]-3,4,7,8-tetrahydro-5-hydroxy-2,3-dimethyl-8-(3-methyl-2-butenyl)-4,7-dioxo-β-pentyl- (9CI);

标识符

InChIKey:
NHTHKMPWHMRXHW-UHFFFAOYSA-N
Inchi:
1S/C34H50O6/c1-10-11-12-13-23(16-26(35)36)27-30(38)28-29(37)21(6)22(7)40-32(28)34(31(27)39,15-14-19(2)3)18-24-17-25(20(4)5)33(24,8)9/h14,21-25,38H,4,10-13,15-18H2,1-3,5-9H3,(H,35,36)
SMILES:
C1(C)OC2C(CC3CC(C(C)=C)C3(C)C)(C/C=C(/C)\C)C(=O)C(C(CCCCC)CC(O)=O)=C(O)C=2C(=O)C1C

2H-1-苯并吡喃-6-丙酸,8-[[2,2-二甲基-3-(1-甲基乙烯基)环丁基]甲基]-3,4,7,8-四氢-5-羟基-2,3-二甲基-8-(3-甲基-2-丁烯基)-4,7-二氧代-b-戊基-(9CI)(112642-41-8)物化性质

实验特性

  • PSA : 52.54
  • 沸点 : 617.2±55.0 °C(Predicted)
  • 酸度系数(pKa) : 4.39±0.10(Predicted)
  • 密度 : 1.11±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 272.08309