cymbopogone

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IUPAC Name :(1R,3aR,5aR,5bS,7aS,8R,11aS,11bS,13aS,13bR)-3a,5a,7a,8,11b,13a-hexamethyl-1-propan-2-yl-2,3,4,5,5b,6,7,8,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
InChI :InChI=1/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19-21,23-25H,9-18H2,1-8H3/t20-,21+,23+,24-,25+,26+,27+,28-,29+,30-/m0/s1
Std.InChI: InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19-21,23-25H,9-18H2,1-8H3/t20-,21+,23+,24-,25+,26+,27+,28-,29+,30-/m0/s1
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InChIKey :XMXDAZKCHXDKLX-BAZAAFERBJ
Std.InChIKey: XMXDAZKCHXDKLX-BAZAAFERSA-N
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SMILES :C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4[C@H](CC5)C(C)C)C)C)C)C)C
Molar Refractivity :130.80 ± 0.3 cm3 (est)
Parachor :1058.8 ± 6.0 cm3 (est)
Index of Refraction :1.507 ± 0.02 (est)
Surface Tension :33.8 ± 3.0 dyne/cm (est)
Density :0.972 ± 0.06 g/cm3 (est)
Polarizability :51.85 ± 0.5 10-24cm3 (est)