8-Deoxygartanin

C23H24O5CAS 33390-41-9380.44 g/mol

Open in Covalent MOL file
OHOOHOHO
AlkenePhenol

Properties

Molecular formula
C23H24O5
Molar mass
380.44 g/mol
Exact mass
380.1624 Da
Melting point
165–167 °C
logP
5.08Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Hazards

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

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Identifiers

CAS number
33390-41-9
SMILES
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
InChIKey
GVQOVMKBYJKZSY-UHFFFAOYSA-N
InChI
InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3

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Names and synonyms

7 names
  • 9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-
  • 9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-
  • Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-
  • 1,3,5-Trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
  • 1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)xanthone
  • 8-Desoxygartanin
  • NSC 692944

Work with 8-Deoxygartanin

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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