分析物名称

3-O-Dinitrobenzoyl-25-hydroxy Vitamin D2

分子式

C35 H46 N2 O7

分子量

606.749

精确质量测定

606.331

SMILES

C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](CCC3=C)OC(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-])\CCC[C@]12C

InChI

InChI=1S/C35H46N2O7/c1-22-10-14-30(44-33(38)27-18-28(36(40)41)21-29(19-27)37(42)43)20-26(22)13-12-25-8-7-17-35(6)31(15-16-32(25)35)23(2)9-11-24(3)34(4,5)39/h9,11-13,18-19,21,23-24,30-32,39H,1,7-8,10,14-17,20H2,2-6H3/b11-9+,25-12+,26-13-/t23-,24+,30+,31-,32+,35-/m1/s1

IUPAC

[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] 3,5-dinitrobenzoate

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat