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Substance Name: 3',4'-O-Benzylidene-chartreusin
RN: 101694-19-3
InChIKey: XVSHGAAPBNVZEJ-YCURTJOOSA-N

Molecular Formula

  • C39-H36-O14

Molecular Weight

  • 728.699
 
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Names and Synonyms

Name of Substance

  • 3',4'-O-Benzylidene-chartreusin

Synonyms

  • 10-((6-Deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-3,4-O-(phenylmethylene)-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methylbenzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione
  • 3',4'-O-Benzylidenechartreusin
  • 3,4-Obct

Systematic Name

  • Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-3,4-O-(phenylmethylene)-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-

Registry Numbers

CAS Registry Number

  • 101694-19-3

System Generated Number

  • 0101694193

Structure Descriptors

InChI

1S/C39H36O14/c1-15-13-14-21-24-22(15)35(43)50-31-23-19(28(41)26(25(24)31)36(44)48-21)11-8-12-20(23)49-39-34(53-38-29(42)32(45-4)27(40)16(2)46-38)33-30(17(3)47-39)51-37(52-33)18-9-6-5-7-10-18/h5-14,16-17,27,29-30,32-34,37-42H,1-4H3/t16-,17-,27+,29-,30+,32+,33+,34-,37-,38?,39?/m1/s1

InChIKey

XVSHGAAPBNVZEJ-YCURTJOOSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@H](O)[C@@H]1O[C@@H]1[C@@H]2[C@H]([C@H](O[C@@H]1Oc1c3c(ccc1)c(O)c1c4c3oc(c3c4c(ccc3C)oc1=O)=O)C)O[C@H](c1ccccc1)O2)OC)O)C