Nombre del analito

Ixabepilone-13C2,15N

Fórmula molecular

13C2 C25 H42 15N N O5 S

Peso molecular

509.676

Masa exacta

509.285

SMILES

[13CH3][13c]1[15n]c(\C=C(/C)\[C@@H]2C[C@@H]3O[C@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N2)cs1

InChI

InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1/i4+1,18+1,28+1

IUPAC

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-(113C)methyl-(213C,315N)1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione

Número CAS sin etiquetar

219989-84-1

Tipo SIL

Nitrogen, Carbon

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat