α-chaconine
Chemical Formula:
C45H74NO14
Molecular Weight:
853.078 Daltons
Monoisotopic Mass:
852.51093109 Daltons
SMILES:
CC8(CCC9(C(C)C3(C(CC2(C4(CC=C1(CC(CCC(C)1C(CCC(C)23)4)OC5(C(C(C(C(CO)O5)OC6(C(C(C(C(C)O6)O)O)O))O)OC7(C(C(C(C(C)O7)O)O)O))))))[N+](C8)9)))
InChI:
1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/p+1/t19-,20+,21-,22-,24?,25+,26-,27?,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39?,40+,41-,42-,43+,44-,45-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-9214
HMDB:
HMDB39353
PubChem (CID):
25244450
KEGG:
C10796
Seed:
cpd07682
MetaNetX:
MNXM22486
ChEBI:
10219