scopadulciol

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IUPAC Name :(1R,2R,6R,7S,8S,10R,13R)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadec-8-yl benzoate
InChI :InChI=1/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3/t19-,20+,22-,24-,25+,26-,27-/m1/s1
Std.InChI: InChI=1S/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3/t19-,20+,22-,24-,25+,26-,27-/m1/s1
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InChIKey :CFPMRJFTBKYCRR-WBQBDWMHBT
Std.InChIKey: CFPMRJFTBKYCRR-WBQBDWMHSA-N
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SMILES :C[C@@]12CC[C@@]3(C1)[C@H](C[C@@H]([C@H]4[C@]3(CCC[C@@]4(C)CO)C)OC(=O)C5=CC=CC=C5)CC2=O
Molar Refractivity :119.30 ± 0.4 cm3 (est)
Parachor :953.8 ± 6.0 cm3 (est)
Index of Refraction :1.580 ± 0.03 (est)
Surface Tension :50.3 ± 5.0 dyne/cm (est)
Density :1.18 ± 0.1 g/cm3 (est)
Polarizability :47.29 ± 0.5 10-24cm3 (est)