Nazwa analitu

pre-Alfacalcidol PTAD Adduct

Wzór cząsteczkowy

C35 H49 N3 O4

Masa cząsteczkowa

575.781

Dokładna masa

575.372

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](N4N([C@@H]3CC[C@]12C)C(=O)N(C4=O)c5ccccc5)C6=C(C)[C@@H](O)C[C@H](O)C6

InChI

InChI=1S/C35H49N3O4/c1-21(2)10-9-11-22(3)28-14-15-29-27-20-31(26-18-25(39)19-32(40)23(26)4)38-34(42)36(24-12-7-6-8-13-24)33(41)37(38)30(27)16-17-35(28,29)5/h6-8,12-13,20-22,25,28-32,39-40H,9-11,14-19H2,1-5H3/t22-,25-,28-,29+,30-,31+,32+,35-/m1/s1

IUPAC

(1R,7S,10R,13R,14R)-7-[(3S,5R)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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