856414-52-3 ((2R)-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol,2H-1-Benzopyran-6-ol, 3,4-dihydro-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,8-dimethyl-, (2R)-)

CAS号:
856414-52-3
中文名称:
(2R)-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
英文名称:
2H-1-Benzopyran-6-ol, 3,4-dihydro-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,8-dimethyl-, (2R)-
分子式:
C27H40O3
分子量:
412.60470867157

(2R)-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol(856414-52-3)名称与标识符

名称

中文别名:
(2R)-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol;
英文别名:
2H-1-Benzopyran-6-ol, 3,4-dihydro-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,8-dimethyl-, (2R)-;Sargachromanol C;(+)-Sargachromanol C;

标识符

InChIKey:
RFIIOYJLKCYOCK-PUMPRSRSSA-N
Inchi:
1S/C27H40O3/c1-19(2)12-13-25(29)21(4)11-7-9-20(3)10-8-15-27(6)16-14-23-18-24(28)17-22(5)26(23)30-27/h10-12,17-18,25,28-29H,7-9,13-16H2,1-6H3/b20-10+,21-11+/t25-,27-/m1/s1
SMILES:
[C@]1(CC/C=C(\C)/CC/C=C(\C)/[C@H](O)C/C=C(\C)/C)(C)OC2=C(C)C=C(O)C=C2CC1

(2R)-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol(856414-52-3)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 重原子数量 : 30
  • 疏水参数计算参考值(XlogP) : 5.522

(2R)-2-[(3E,7E,9R)-9-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol(856414-52-3)相关文献