fasciculol C

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IUPAC Name :(2R,3R,5R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
InChI :InChI=1/C30H52O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,21-25,31-36H,8-16H2,1-7H3/t17-,18+,21+,22-,23+,24-,25-,28+,29-,30-/m0/s1
Std.InChI: InChI=1S/C30H52O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,21-25,31-36H,8-16H2,1-7H3/t17-,18+,21+,22-,23+,24-,25-,28+,29-,30-/m0/s1
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InChIKey :YRXIDKUVBPMNRA-YTOKZNHUBA
Std.InChIKey: YRXIDKUVBPMNRA-YTOKZNHUSA-N
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SMILES :C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
Molar Refractivity :141.33 ± 0.4 cm3 (est)
Parachor :1163.3 ± 6.0 cm3 (est)
Index of Refraction :1.575 ± 0.03 (est)
Surface Tension :55.0 ± 5.0 dyne/cm (est)
Density :1.19 ± 0.1 g/cm3 (est)
Polarizability :56.03 ± 0.5 10-24cm3 (est)