labdenediol
Chemical Formula:
C20H36O2
Molecular Weight:
308.503 Daltons
Monoisotopic Mass:
308.2715303998 Daltons
SMILES:
CC(=CCO)CCC2(C(C)(O)CCC1(C(C)(CCCC(C)(C)1)2))
InChI:
1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16?,17-,19+,20-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18878
PubChem (CID):
20975203
KNApSAcK:
C00000888
MetaNetX:
MNXM527838