isoshowacene
Chemical Formula:
C31H52
Molecular Weight:
424.752 Daltons
Monoisotopic Mass:
424.4069016692 Daltons
SMILES:
C=CC(C)(C=CC(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CCC(C)C(=C)C
InChI:
1S/C31H52/c1-11-31(10,23-14-19-28(7)20-21-30(9)26(4)5)24-22-29(8)18-13-17-27(6)16-12-15-25(2)3/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-17+,28-19+
InChIKey:
Synonyms
- 20-methyl-21,22-didehydro-20,21-dihydrobotryococcene
Databases
MetaCyc:
CPD-14792
PubChem (CID):
90657773
MetaboLights:
MTBLC70863
ChEBI:
70863
MetaNetX:
MNXM164852