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Substance Name: 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-
RN: 81381-68-2
InChIKey: KBAPHKOHTBBCTO-PLGQSUQOSA-N

Molecular Formula

  • C40-H38-O10

Molecular Weight

  • 678.73
 
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Names and Synonyms

  • 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-

Registry Numbers

CAS Registry Number

  • 81381-68-2

System Generated Number

  • 0081381682

Structure Descriptors

InChI

1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+/t29-,30-,36-/m0/s1

InChIKey

KBAPHKOHTBBCTO-PLGQSUQOSA-N

Smiles

C(\C=C\c1c(cc(cc1)O)O)(=O)c1c(c(c(cc1)O)[C@H]1C=C(C[C@H]([C@@H]1C(c1c(c(c(cc1)O)C\C=C(\C)C)O)=O)c1c(cc(cc1)O)O)C)O