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Mulberrofuran G

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Category Hepatitis B Virus (HBV)
CAS 87085-00-5
Description Mulberrofuran G isolated from the root bark of Morus alba L.
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Product Information

Synonyms Mulberrofuran G|87085-00-5|Albanol A|1-(2,4-Dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol|NSC649229|iso-mulbel-rochromene|NSC 649229|UNII-39PXQ8D28J|39PXQ8D28J|SCHEMBL4926236|AKOS032948258|FT-0775872|B0005-477260|3aH-Benzo[3,4][2]benzopyrano[1,8-bc][1]-benzopyran-4,11-diol, 8a-(2,4-dihydroxphenyl)-1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (3a,S,8aS,13bS,13cR)-
IUPAC Name 1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
Molecular Weight 562.6
Molecular Formula C34H26O8
Canonical SMILES CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O
InChI InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3
InChIKey MJJWBJFYYRAYKU-UHFFFAOYSA-N
Boiling Point 695.1±55.0 °C at 760 mmHg
Flash Point 374.2±31.5 °C
Purity > 95%
Density 1.484g/cm3
Solubility In Vitro:
DMSO : 50 mg/mL (88.88 mM; Need ultrasonic)
Appearance Powder
Storage 4°C, sealed storage, away from moisture and light
* In solvent :
-80°C 6 months;
-20°C 1 month (sealed storage, away from moisture and light)
Complexity 1050
Exact Mass 562.16276778
Index Of Refraction 1.745
PSA 132.75000
Target NADPH Oxidase; HBV
Vapor Pressure 0.0±2.3 mmHg at 25°C
XLogP3-AA 6

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