17-O-deacetylvindoline

Chemical Formula:

C₂₃H₃₁N₂O₅

Molecular Weight:

415.508 Daltons

Monoisotopic Mass:

415.22329711599997 Daltons

SMILES:

CCC25(C=CC[N+]4(CCC1(C3(C=CC(OC)=CC(N(C)[CH]1C(C(OC)=O)(O)C(O)2)=3))[CH]45))

InChI:

1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/p+1/t17-,18+,19+,21+,22+,23-/m0/s1

InChIKey:

ZDKMPOJNYNVYLA-PEGGBQQISA-O

Synonyms

deacetylvindoline

Databases

MetaCyc: 17-O-DEACETYLVINDOLINE

ChEBI: 58461

PubChem (CID): 129320270

KEGG: C01091

Seed: cpd00799

MetaNetX: MNXM1518