C.p.473

Chemical Formula:

C₅₀H₇₂O₂

Molecular Weight:

705.118 Daltons

Monoisotopic Mass:

704.5532315554 Daltons

SMILES:

CC(C)=CCC(C(O)(C)C)C=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)C(CCC(C)=1)CC=C(C)CO)

InChI:

1S/C50H72O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-30,34,36,46-47,51-52H,31-33,35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46?,47-/m0/s1

InChIKey:

ILPGXKRLKPWUDA-MUPOWBRTSA-N

Synonyms

2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol

Databases

MetaCyc: CPD-20666

PubChem (CID): 131841585