Vindesine N-(3-Hydroxypropyl)amide-13C3,15N

Analyte Name

Vindesine N-(3-Hydroxypropyl)amide-13C3,15N

Molecular Formula

13C3 C43 H61 15N N4 O8

Molecular Weight

815.977

Accurate Mass

815.459

SMILES

CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)[15NH][13CH2][13CH2][13CH2]O)C1

InChI

InChI=1S/C46H61N5O8/c1-6-42(56)24-28-25-45(41(55)59-5,36-30(14-19-50(26-28)27-42)29-12-8-9-13-33(29)48-36)32-22-31-34(23-35(32)58-4)49(3)38-44(31)16-20-51-18-10-15-43(7-2,37(44)51)39(53)46(38,57)40(54)47-17-11-21-52/h8-10,12-13,15,22-23,28,37-39,48,52-53,56-57H,6-7,11,14,16-21,24-27H2,1-5H3,(H,47,54)/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1/i11+1,17+1,21+1,47+1

IUPAC

methyl (1S,13S,15S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-10-(3-hydroxy(1,2,3-13C3)propylcarbamoyl)-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate

Unlabelled CAS Number

69783-92-2

SIL Type

Carbon, Nitrogen

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat