Nazwa analitu

4-Hydroxyestradiol-2-N-acetylcysteine

Wzór cząsteczkowy

C23 H31 N O6 S

Masa cząsteczkowa

449.56

Dokładna masa

449.187

SMILES

CC(=O)N[C@@H](CS)C(=O)Oc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCc2c(O)c1O

InChI

InChI=1S/C23H31NO6S/c1-11(25)24-17(10-31)22(29)30-18-9-15-12-7-8-23(2)16(5-6-19(23)26)13(12)3-4-14(15)20(27)21(18)28/h9,12-13,16-17,19,26-28,31H,3-8,10H2,1-2H3,(H,24,25)/t12?,13?,16?,17-,19-,23-/m0/s1

IUPAC

[(13S,17S)-3,4,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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