CC(=O)OC[C@H]1O[C@@H](Oc2n[nH]c(C(F)(F)F)c2Cc2ccc(C(C)C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

名称: 4-[(4-isopropylphenyl)methyl]-3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)-5-trifluoromethyl-1H-pyrazole

IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-[(4-propan-2-ylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate

SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2n[nH]c(C(F)(F)F)c2Cc2ccc(C(C)C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Canonical SMILES: CC(C)C1=CC=C(C=C1)CC2=C(NN=C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(F)(F)F

分子式: C28H33F3N2O10

分子量: 614.60

InChIKey: GURZXXVLSLYJDT-CXBVJKJKSA-N

InChI:

InChI=1S/C28H33F3N2O10/c1-13(2)19-9-7-18(8-10-19)11-20-25(28(29,30)31)32-33-26(20)43-27-24(41-17(6)37)23(40-16(5)36)22(39-15(4)35)21(42-27)12-38-14(3)34/h7-10,13,21-24,27H,11-12H2,1-6H3,(H,32,33)/t21-,22-,23+,24-,27+/m1/s1

PubChem CID: 67335826 →

同義語

4-[(4-Isopropylphenyl)methyl]-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-5-trifluoromethyl-1H-pyrazoleSCHEMBL2253701

16 件の反応に参加→