tomatidine
Chemical Formula:
C27H45NO2
Molecular Weight:
415.658 Daltons
Monoisotopic Mass:
415.3450296939 Daltons
SMILES:
CC6(CCC1(O[CH]5([CH](C(C)1)C4(C)([CH]([CH]3([CH](C2(C)([CH](CC(O)CC2)CC3))CC4))C5)))(NC6))
InChI:
1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17697
KEGG:
C10826
PubChem (CID):
65576
ChEBI:
9629
Seed:
cpd07712
HMDB:
HMDB34731
MetaNetX:
MNXM13048