crepidiaside B

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IUPAC Name :(3S,3aS,9aS,9bS)-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
InChI :InChI=1/C21H28O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,9,11,13,15-19,21-22,24-26H,3-4,6-7H2,1-2H3/t9-,11-,13+,15-,16+,17-,18+,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H28O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,9,11,13,15-19,21-22,24-26H,3-4,6-7H2,1-2H3/t9-,11-,13+,15-,16+,17-,18+,19-,21+/m0/s1
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InChIKey :BUHZTPLXMFRPCK-CKCUUXPSBY
Std.InChIKey: BUHZTPLXMFRPCK-CKCUUXPSSA-N
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SMILES :C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
Molar Refractivity :101.64 ± 0.4 cm3 (est)
Parachor :838.4 ± 6.0 cm3 (est)
Index of Refraction :1.614 ± 0.03 (est)
Surface Tension :68.3 ± 5.0 dyne/cm (est)
Density :1.45 ± 0.1 g/cm3 (est)
Polarizability :40.29 ± 0.5 10-24cm3 (est)