brassicasterol

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IUPAC Name :(3S)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI :InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20?,22-,23?,24?,25?,26?,27?,28?/m0/s1
Std.InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20?,22-,23?,24?,25?,26?,27?,28?/m0/s1
InChIKey :OILXMJHPFNGGTO-FQRXBOAXBT
Std.InChIKey: OILXMJHPFNGGTO-FQRXBOAXSA-N
SMILES :CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CC[C@@H](C4)O)C)C
MDL: MFCD00201659
Molar Refractivity :124.49 ± 0.4 cm3 (est)
Parachor :998.5 ± 6.0 cm3 (est)
Index of Refraction :1.532 ± 0.03 (est)
Surface Tension :38.2 ± 5.0 dyne/cm (est)
Density :0.99 ± 0.1 g/cm3 (est)
Polarizability :49.35 ± 0.5 10-24cm3 (est)