Analyte Name

(8S,9S,10R,11S,13R,14S,17S)-17-((4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)butyl)glycyl)-11-hydroxy-10-methyl-3-oxo-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-13H-cyclopenta[a]phenanthrene-13-carbaldehyde

CAS Number

2226085-78-3

Molecular Formula

C29H38N2O6

Molecular Weight

510.63

Accurate Mass

510.27

SMILES

O=C[C@@]12[C@](CC[C@@H]2C(CNCCCCN3C(C=CC3=O)=O)=O)([H])[C@@]4([H])[C@]([C@@]5(C(CC4)=CC(CC5)=O)C)([H])[C@H](C1)O

InChI

InChI=1S/C29H38N2O6/c1-28-11-10-19(33)14-18(28)4-5-20-21-6-7-22(29(21,17-32)15-23(34)27(20)28)24(35)16-30-12-2-3-13-31-25(36)8-9-26(31)37/h8-9,14,17,20-23,27,30,34H,2-7,10-13,15-16H2,1H3/t20-,21-,22+,23-,27+,28-,29+/m0/s1

IUPAC

(8S,9S,10R,11S,13R,14S,17S)-17-((4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butyl)glycyl)-11-hydroxy-10-methyl-3-oxo-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-13H-cyclopenta[a]phenanthrene-13-carbaldehyde

Country of Origin

CANADA

Product Format

Neat