130396-92-8 (13-羟基二氢茴香内酯,13-hydroxy-dihydromelleolide)

快速询单

结构式：

13-羟基二氢茴香内酯MOL文件

CAS号：

130396-92-8

中文名称：

13-羟基二氢茴香内酯

英文名称：

13-hydroxy-dihydromelleolide

分子式：

C₂₃H₃₀O₇

分子量：

418.480107784271

13-羟基二氢茴香内酯(130396-92-8)名称与标识符

名称

英文别名：

13-hydroxy-dihydromelleolide;13-Hydroxydihydromelleolide;Hydroxydihyfromelleolide;DTXSID701098887;Benzoic acid, 2,4-dihydroxy-6-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta)]-;130396-92-8;CHEMBL1762771;[2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate;CHEBI:175348;Benzoic acid, 2,4-dihydroxy-6-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2I+/-,2aI(2),4aI+/-,7aI+/-,7bI(2))]-;

标识符

InChIKey：

ABFOJGYAILKEJB-MTJRIOAFSA-N

Inchi：

1S/C23H30O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,16-17,24-26,28-29H,8-11H2,1-4H3/t16-,17-,21-,22+,23+/m1/s1

SMILES：

O[C@]12C(CO)=C[C@@]3(CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(C1C(=CC(=CC=1C)O)O)=O)O