20-oxo-5-O-β-mycaminosyltylactone
Chemical Formula:
C31H52NO9
Molecular Weight:
582.753 Daltons
Monoisotopic Mass:
582.3642072733 Daltons
SMILES:
CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))C)
InChI:
1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/p+1/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1
InChIKey:
Synonyms
- 23-deoxy-O-β-mycaminosyltylonolide
Databases
MetaCyc:
CPD-15945
ChEBI:
76803
PubChem (CID):
72715770
MetaNetX:
MNXM146069
KEGG:
C20760