Epothilone D-13C2,15N

Analyte Name

Epothilone D-13C2,15N

Molecular Formula

13C2 C25 H41 15N O5 S

Molecular Weight

494.662

Accurate Mass

494.274

SMILES

[13CH3][13c]1[15n]c(\C=C(/C)\[C@@H]2C\C=C(\C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1

InChI

InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1/i5+1,20+1,28+1

IUPAC

(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-(113C)methyl-(213C,315N)1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat