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3-O-Dinitrobenzoyl-25-hydroxy Vitamin D2, TRC
Specifications
Specifications
| Chemical Name or Material | 3-O-Dinitrobenzoyl-25-hydroxy Vitamin D2 |
| Analyte or Component Names | 3-O-Dinitrobenzoyl-25-hydroxy Vitamin D2 |
| Shipping Condition | Room Temperature |
| Molecular Formula | C35 H46 N2 O7 |
| Synonym | (3beta,5Z,7E,22E)-3-O-Dinitrobenzoyl-9,10-secoergosta-5,7,10(19),22-tetraene-3,25-diol |
| InChI Formula | 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 |
| Solution Type | Neat |
| 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 |
| IUPAC Name | [(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 |
| Industry Type | Pharmaceutical |
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