Nazwa analitu

(6beta,17alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-6,17-diol 6-(4-Nitrobenozoate)

Wzór cząsteczkowy

C27H27NO6

Masa cząsteczkowa

461.51

Dokładna masa

461.18

SMILES

OC1=CC([C@H](OC(C2=CC=C([N+]([O-])=O)C=C2)=O)C[C@@]([H])([C@@]34[H])[C@]5([H])CC[C@@]3([C@](O)(C#C)CC4)C)=C5C=C1

InChI

InChI=1S/C27H27NO6/c1-3-27(31)13-11-23-21-15-24(34-25(30)16-4-6-17(7-5-16)28(32)33)22-14-18(29)8-9-19(22)20(21)10-12-26(23,27)2/h1,4-9,14,20-21,23-24,29,31H,10-13,15H2,2H3/t20-,21-,23+,24-,26+,27+/m1/s1

IUPAC

(6R,8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-yl 4-nitrobenzoate

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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