23-Bromo-A-23187

Nazwa analitu

2-(((2S,3R,5R,6S,8R,9R)-2-((2S)-1-(4-bromo-1H-pyrrol-2-yl)-1-oxopropan-2-yl)-3,5,9-trimethyl-1,7-dioxaspiro(5.5)undecan-8-yl)methyl)-5-(methylamino)-1,3-benzoxazole-4-carboxylic acid

Numer CAS

76455-82-8

Wzór cząsteczkowy

C29 H36 Br N3 O6

Masa cząsteczkowa

602.517

Dokładna masa

601.179

SMILES

CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c5cc(Br)c[nH]5)[C@H](C)C[C@H]4C)nc2c1C(=O)O

InChI

InChI=1S/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)/t14-,15-,16-,17-,22-,27+,29+/m1/s1

IUPAC

2-[[(2S,3R,5R,6S,8R,9R)-2-[(2S)-1-(4-bromo-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-(methylamino)-1,3-benzoxazole-4-carboxylic acid

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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