Analyte Name

4'-Demethyl Homoharringtonine

CAS Number

98599-84-9

Molecular Formula

C28 H37 N O9

Molecular Weight

531.59

Accurate Mass

531.2468

SMILES

CC(CCC[C@@](C(O[C@]1([H])C(OC)=C[C@]23CCCN2CCC4=CC(OCO5)=C5C=C4[C@]13[H])=O)(O)CC(O)=O)(O)C

InChI

InChI=1S/C28H37NO9/c1-26(2,33)7-4-9-28(34,15-22(30)31)25(32)38-24-21(35-3)14-27-8-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,33-34H,4-11,15-16H2,1-3H3,(H,30,31)/t23-,24-,27+,28-/m1/s1

IUPAC

(R)-3,7-dihydroxy-3-((((11bS,12S,14aR)-13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-12-yl)oxy)carbonyl)-7-methyloctanoic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat