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  2. 517-44-2

Sennidin B | 517-44-2

517-44-2
Product name:Sennidin B
CAS No:517-44-2
MF:C30H18O10
MW:538.4579
MDL:MFCD00198029
CID:370313
PubChem ID:10459879
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Introduction
Sennidin B, which can be isolated from Cassia angustifolia, is an isomer of sennidin A and has lower activity than sennidin a Sennidin a, which can inhibit HCV NS3 helicase, has an IC50 value of 0.8 μ M. Sennidin a induces the phosphorylation of Akt and glucose transporter 4 (GLUT4) Sennidin a stimulates glucose incorporation
Names and Identifiers
  • [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-,(9R,9'S)-rel-
  • [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10...
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  • SENNIDINE B
  • Sennidin B
  • 1,4-Dichlorobutane-2,3-acetonide
  • meso-4,5-Bis-chlormethyl-2,2-dimethyl-dioxolan
  • VI631S52AW
  • 8258AH
  • NSC-658576
  • (9R,9'S)-4,4',5,5'-tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
  • EINECS 208-239-4
  • NSC 658576
  • AKOS037514839
  • (9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, (9R,9'S)-REL-
  • [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (9R,9'S)-rel-
  • AC-34225
  • JPMRHWLJLNKRTJ-SZPZYZBQSA-N
  • (9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
  • Q27291841
  • 517-44-2
  • (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,S*)-
  • DTXSID601318414
  • HY-N6935
  • MS-29930
  • Sennidine B
  • (R*,S*)-9,9',10,10'-Tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylic acid
  • (9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9,10-dihydroanthracen-9-yl]-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid
  • (9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, MESO-
  • UNII-VI631S52AW
  • MFCD00198029
  • CS-0027782
  • SCHEMBL17166295
  • CHEBI:172735
  • MDL:MFCD00198029
  • InChIKey:JPMRHWLJLNKRTJ-SZPZYZBQSA-N
  • Inchi:1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+
  • SMILES:O=C1C2C(=C([H])C([H])=C([H])C=2[C@@]([H])(C2C([H])=C(C(=O)O[H])C([H])=C(C=21)O[H])[C@]1([H])C2C([H])=C([H])C([H])=C(C=2C(C2C(=C([H])C(C(=O)O[H])=C([H])C1=2)O[H])=O)O[H])O[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 538.5g/mol
  • Surface Charge: 0
  • XLogP3: 4.8
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Rotatable Bond Count: 3
  • Monoisotopic Mass: 538.089997g/mol
  • Monoisotopic Mass: 538.089997g/mol
  • Topological Polar Surface Area: 190Ų
  • Heavy Atom Count: 40
  • Complexity: 977
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • LogP: 3.95820
  • PSA: 189.66000
  • Boiling Point: 801.80°C.@760.00mmHg(est)
  • Solubility: Insuluble (9.2E-8 g/L) (25 ºC),
  • Density: 1.695±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • Safety Instruction:S22; S45
  • Risk Phrases:R22
  • Hazard Category Code:22
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