Nazwa analitu

Vitamin D3 Decanoate

Numer CAS

158180-04-2

Wzór cząsteczkowy

C37 H62 O2

Masa cząsteczkowa

538.89

Dokładna masa

538.475

SMILES

CCCCCCCCCC(=O)O[C@H]1CCC(=C)\C(=C/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)C)\C1

InChI

InChI=1S/C37H62O2/c1-7-8-9-10-11-12-13-19-36(38)39-33-23-20-29(4)32(27-33)22-21-31-18-15-26-37(6)34(24-25-35(31)37)30(5)17-14-16-28(2)3/h21-22,28,30,33-35H,4,7-20,23-27H2,1-3,5-6H3/b31-21+,32-22-/t30-,33+,34-,35+,37-/m1/s1

IUPAC

[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexyl] decanoate

Kraj pochodzenia

CANADA

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