Nome dell'analita

13-([(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl)-10-deacetyl-7,10-bis([(2,2,2-trichloroethyl)oxy]carbonyl) Baccatin III

Numero CAS

143527-76-8

Formula molecolare

C52H59Cl6NO18

Peso molecolare

1198.74

Massa accurata

1195.1863

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H]6OC(C)(C)N([C@H]6c7ccccc7)C(=O)OC(C)(C)C)C(=C([C@@H](OC(=O)OCC(Cl)(Cl)Cl)C3=O)C5(C)C)C

InChI

InChI=1S/C52H59Cl6NO18/c1-26-30(71-41(63)36-34(28-17-13-11-14-18-28)59(47(8,9)76-36)42(64)77-45(3,4)5)22-50(67)39(74-40(62)29-19-15-12-16-20-29)37-48(10,38(61)35(33(26)46(50,6)7)73-44(66)70-25-52(56,57)58)31(72-43(65)69-24-51(53,54)55)21-32-49(37,23-68-32)75-27(2)60/h11-20,30-32,34-37,39,67H,21-25H2,1-10H3/t30-,31-,32+,34-,35+,36+,37-,39-,48+,49-,50+/m0/s1

Temperatura di spedizione

Blue Ice

Paese di origine

CANADA

Formato del prodotto

Neat