neoabietic acid
Chemical Formula:
C20H29O2
Molecular Weight:
301.448 Daltons
Monoisotopic Mass:
302.2245802072 Daltons
SMILES:
CC(=C3(CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C
InChI:
1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/p-1/t16-,17?,19+,20+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-8712
PubChem (CID):
25202082
KEGG:
C11889
Seed:
cpd08687
MetaNetX:
MNXM8935
ChEBI:
29653