chempirical

Sanggenon D

C40H36O12CAS 81422-93-7708.72 g/mol

Open in Covalent MOL file
OHOOHOOHOHHOOOHHOHOO
AlcoholAlkeneEtherKetonePhenol

Properties

Molecular formula
C40H36O12
Molar mass
708.72 g/mol
Exact mass
708.2207 Da
Melting point
175–185 °C
logP
6.25Crippen estimate
Polar surface area
214.4 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
81422-93-7
SMILES
CC(C)=CCC12Oc3cc(O)ccc3C1(O)Oc1cc(O)c(C3C=C(C)CC(c4ccc(O)cc4O)C3C(=O)c3ccc(O)cc3O)c(O)c1C2=O
InChIKey
SUOXGDJCEWTZIZ-UHFFFAOYSA-N
InChI
InChI=1S/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3

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Names and synonyms

5 names
  • 11H-Benzofuro[3,2-b][1]benzopyran-11-one, 2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-5a,10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3-methyl-2-buten-1-yl)-
  • 11H-Benzofuro[3,2-b][1]benzopyran-11-one, 2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-5a,10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3-methyl-2-butenyl)-
  • 2-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-5a,10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3-methyl-2-buten-1-yl)-11H-benzofuro[3,2-b][1]benzopyran-11-one
  • Sanggenone D
  • 2-(2-(2,4-Dihydroxybenzoyl)-2′,4′-dihydroxy-5-methyl-1,2,3,6-tetrahydro-[1,1′-biphenyl]-3-yl)-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-en-1-yl)-5aH-benzofuro[3,2-b]chromen-11(10aH)-one

Work with Sanggenon D

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Kushenol I99119-69-432 % similar Xanthohumol6754-58-130 % similar Sophoraflavanone G97938-30-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sanggenon C80651-76-9

Elsewhere

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