cryptochrome

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IUPAC Name :(6S)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
InChI :InChI=1/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33?,34?,39?,40?/m0/s1
Std.InChI: InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33?,34?,39?,40?/m0/s1
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InChIKey :KCYOZNARADAZIZ-AORCMSSWBL
Std.InChIKey: KCYOZNARADAZIZ-AORCMSSWSA-N
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SMILES :C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C1C=C2C(C[C@@H](CC2(O1)C)O)(C)C)/C=C/C=C(\C)/C3C=C4C(CCCC4(O3)C)(C)C
Molar Refractivity :181.90 ± 0.4 cm3 (est)
Parachor :1417.4 ± 6.0 cm3 (est)
Index of Refraction :1.567 ± 0.03 (est)
Surface Tension :42.0 ± 5.0 dyne/cm (est)
Density :1.05 ± 0.1 g/cm3 (est)
Polarizability :72.11 ± 0.5 10-24cm3 (est)