LUX

(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL



Chemical Component Summary

Name(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
Identifiers(1S)-4-[(E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyl-octadec-1-enyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
FormulaC40 H72 O2
Molecular Weight584.998
TypeNON-POLYMER
Isomeric SMILESCC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C
InChIInChI=1S/C40H72O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h21,23,26,29-32,35-36,38,41-42H,11-20,22,24-25,27-28H2,1-10H3/b23-21+/t29-,30+,31-,32?,35+,36-,38?/m1/s1
InChIKeyOXVWOOPFXSSEKV-SQYYBNMASA-N

Chemical Details

Formal Charge0
Atom Count114
Chiral Atom Count7
Bond Count115
Aromatic Bond Count0