β-chaconine
Chemical Formula:
C39H64NO10
Molecular Weight:
706.935 Daltons
Monoisotopic Mass:
706.4530222806 Daltons
SMILES:
CC7(CCC8(C(C)C3(C(CC2(C4(CC=C1(CC(CCC(C)1C(CCC(C)23)4)OC5(C(C(C(C(CO)O5)O)O)OC6(C(C(C(C(C)O6)O)O)O))))))[N+](C7)8)))
InChI:
1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/p+1/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
InChIKey:
Synonyms
- beta(1)-Chaconine
- beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)
Databases
MetaCyc:
CPD-9215
PubChem (CID):
25244805
Seed:
cpd25608
HMDB:
HMDB30321
MetaNetX:
MNXM13288