pectachol

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IUPAC Name :7-[[(1R,4aR,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one
InChI :InChI=1/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3/t17-,19+,20-,26-/m1/s1
Std.InChI: InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3/t17-,19+,20-,26-/m1/s1
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InChIKey :QISGCNZPAGFKFT-ALWXHMJKBO
Std.InChIKey: QISGCNZPAGFKFT-ALWXHMJKSA-N
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SMILES :C[C@]12CC[C@H](C([C@@H]1CCC(=C)[C@H]2COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)(C)C)O
Molar Refractivity :121.22 ± 0.4 cm3 (est)
Parachor :972.4 ± 6.0 cm3 (est)
Index of Refraction :1.573 ± 0.03 (est)
Surface Tension :48.8 ± 5.0 dyne/cm (est)
Density :1.20 ± 0.1 g/cm3 (est)
Polarizability :48.05 ± 0.5 10-24cm3 (est)