cryptoflavin

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IUPAC Name :4-[(1E,3E,5E,7E,9E,11E,13E,15Z)-16-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
InChI :InChI=1/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21-
Std.InChI: InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21-
InChIKey :WEJIOGMJJWSQFC-IYKTWOABBA
Std.InChIKey: WEJIOGMJJWSQFC-IYKTWOABSA-N
SMILES :CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C2C=C3C(CCCC3(O2)C)(C)C)/C)/C
Molar Refractivity :181.89 ± 0.4 cm3 (est)
Parachor :1416.2 ± 6.0 cm3 (est)
Index of Refraction :1.560 ± 0.03 (est)
Surface Tension :40.3 ± 5.0 dyne/cm (est)
Density :1.01 ± 0.1 g/cm3 (est)
Polarizability :72.10 ± 0.5 10-24cm3 (est)