margaritene

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IUPAC Name :8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
InChI :InChI=1/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10?,17?,20-,21+,22-,23-,24?,26-,27?,28-/m0/s1
Std.InChI: InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10?,17?,20-,21+,22-,23-,24?,26-,27?,28-/m0/s1
InChIKey :AOXGLIJSZLOQNZ-LMBVBGOFBW
Std.InChIKey: AOXGLIJSZLOQNZ-LMBVBGOFSA-N
SMILES :CC1[C@@H]([C@@H](C([C@@H](O1)OC2[C@H]([C@@H](C(O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)CO)O)O)O)O)O
Molar Refractivity :139.95 ± 0.4 cm3 (est)
Parachor :1127.6 ± 6.0 cm3 (est)
Index of Refraction :1.715 ± 0.03 (est)
Surface Tension :100.6 ± 5.0 dyne/cm (est)
Density :1.66 ± 0.1 g/cm3 (est)
Polarizability :55.48 ± 0.5 10-24cm3 (est)