Analyte Name

17-Amino Geldanamycin-13C,15N2

Molecular Formula

13C C27 H39 15N2 N O8

Molecular Weight

548.604

Accurate Mass

548.271

SMILES

CO[C@H]1C[C@H](C)CC2=C([15NH2])C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](O[13C](=O)[15NH2])\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O

InChI

InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1/i28+1,29+1,30+1

IUPAC

[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(15N)azanyl-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Unlabelled CAS Number

64202-81-9

SIL Type

Carbon, Nitrogen

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat