13-dihydrodaunorubicin
Chemical Formula:
C27H32NO10
Molecular Weight:
530.55 Daltons
Monoisotopic Mass:
530.2026212534 Daltons
SMILES:
CC5(C(O)C([N+])CC(OC4(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3CC(C(O)C)(C4)O)O)=O)OC))=O))O)))O5)
InChI:
1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,11?,14-,16-,17-,22+,27-/m0/s1
InChIKey:
Synonyms
- daunorubicinol
Databases
MetaCyc:
CPD-15735
PubChem (CID):
71668325
ChEBI:
75296
Seed:
cpd09182
MetaNetX:
MNXM6052
KEGG:
C12430