capsanthone

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IUPAC Name :(3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentan-1-one
InChI :InChI=1/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1
Std.InChI: InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1
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InChIKey :RSVFJNWBMXVMGE-LXQXRHSABT
Std.InChIKey: RSVFJNWBMXVMGE-LXQXRHSASA-N
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SMILES :CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(CC(=O)CC2(C)C)C)/C)/C
Molar Refractivity :186.13 ± 0.3 cm3 (est)
Parachor :1441.4 ± 6.0 cm3 (est)
Index of Refraction :1.558 ± 0.02 (est)
Surface Tension :38.9 ± 3.0 dyne/cm (est)
Density :1.010 ± 0.06 g/cm3 (est)
Polarizability :73.79 ± 0.5 10-24cm3 (est)