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Substance Name: 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin
RN: 128201-92-3
InChIKey: QRWUHWVLCGLLOK-UHFFFAOYSA-N

Molecular Formula

  • C44-H44-O16

Molecular Weight

  • 828.8156
 
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Names and Synonyms

Name of Substance

  • 6-O-(3-Ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin

Synonyms

  • (S)-10-((6-Deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-3,4-O-(phenylmethylene)-beta-D-galactopyranosyl)oxy)-5,12-dihydro-1-methyl-5,12-dioxobenzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-6-yl 3-ethoxypropanoate
  • 6-O-(3-Ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin
  • Ist-622

Systematic Name

  • Propanoic acid, 3-ethoxy-, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-3,4-O-(phenylmethylene)-beta-D-galactopyranosyl)oxy)-5,12-dihydro-1-methyl-5,12-dioxobenzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-6-yl ester, (S)-

Registry Numbers

CAS Registry Number

  • 128201-92-3

System Generated Number

  • 0128201923

Structure Descriptors

InChI

1S/C44H44O16/c1-6-51-17-16-27(45)56-35-24-14-13-23(18-25(24)36-30-29-26(55-41(49)31(30)35)15-12-19(2)28(29)40(48)57-36)54-44-39(60-43-33(47)37(50-5)32(46)20(3)52-43)38-34(21(4)53-44)58-42(59-38)22-10-8-7-9-11-22/h7-15,18,20-21,32-34,37-39,42-44,46-47H,6,16-17H2,1-5H3

InChIKey

QRWUHWVLCGLLOK-UHFFFAOYSA-N

Smiles

CCOCCC(=O)Oc1c2ccc(cc2c3c4c1c(=O)oc5c4c(c(cc5)C)c(=O)o3)OC6C(C7C(C(O6)C)OC(O7)c8ccccc8)OC9C(C(C(C(O9)C)O)OC)O