showacene

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)C)CCC=C(C)CCC=C(C)C

InChI:

1S/C31H52/c1-11-31(10,23-14-19-27(6)16-12-15-25(2)3)24-22-29(8)18-13-17-28(7)20-21-30(9)26(4)5/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-19+,28-17+

InChIKey:

FJYZTSTYDFHWJY-PFRWBQKDSA-N

Synonyms

3-methyl-1,2-didehydro-2,3-dihydrobotryococcene

Databases

MetaCyc: CPD-14261

PubChem (CID): 14274987

MetaboLights: MTBLC70864

ChEBI: 70864

Seed: cpd24256

MetaNetX: MNXM165153