Nazwa analitu

Calcipotriol Impurity G

Wzór cząsteczkowy

C54H78O5

Masa cząsteczkowa

807.21

Dokładna masa

806.58

SMILES

C=C1[C@H](C[C@@H](C/C1=C/C=C2[C@@]([H])([C@@]3(CCC/2)C)CC[C@@]3([C@@H](/C=C/[C@H](C4CC4)O[C@H](/C=C/[C@H]([C@@]5([C@](C)([C@]/6(CC5)[H])CCCC6=C/C=C7C[C@H](C[C@@H](C/7=C)O)O)[H])C)C8CC8)C)[H])O)O

InChI

InChI=1S/C54H78O5/c1-33(45-21-23-47-37(9-7-27-53(45,47)5)13-19-41-29-43(55)31-49(57)35(41)3)11-25-51(39-15-16-39)59-52(40-17-18-40)26-12-34(2)46-22-24-48-38(10-8-28-54(46,48)6)14-20-42-30-44(56)32-50(58)36(42)4/h11-14,19-20,25-26,33-34,39-40,43-52,55-58H,3-4,7-10,15-18,21-24,27-32H2,1-2,5-6H3/b25-11+,26-12+,37-13+,38-14+,41-19-,42-20-/t33-,34-,43-,44-,45-,46-,47+,48+,49+,50+,51-,52-,53-,54-/m1/s1

IUPAC

(1R,1'R,3S,3'S,5Z,5'Z)-5,5'-(((1R,1'R,3aS,3a'S,4E,4'E,7aR,7a'R)-((2R,2'R,3E,3'E,5S,5'S)-oxybis(5-cyclopropylpent-3-ene-5,2-diyl))bis(7a-methyloctahydro-4H-indene-1-yl-4-ylidene))bis(ethane-2,1-diylidene))bis(4-methylenecyclohexane-1,3-diol)

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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