lolitriol
Chemical Formula:
C37H49NO7
Molecular Weight:
619.797 Daltons
Monoisotopic Mass:
619.3509029328001 Daltons
SMILES:
CC(C)(O)[CH]1(O[CH]3(C2(OC(C(O)1)2)C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC8(C6=C9(CC7(C(C(C)(C)OC(C)(C)7)C(=O)C(=CC=8)9))))))))
InChI:
1S/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21?,23-,25?,27?,29-,30?,34+,35+,36-,37?/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17204
PubChem (CID):
91820553
KEGG:
C20548
MetaNetX:
MNXM147136