chempirical

2'-O-Methylkurarinone

C27H32O6CAS 270249-38-2452.55 g/mol

Open in Covalent MOL file
HOOOOOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C27H32O6
Molar mass
452.55 g/mol
Exact mass
452.2199 Da
logP
5.91Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
8
Stereocentres
R, Sin SMILES atom order

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
270249-38-2
SMILES
CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C
InChIKey
KTAQQSUPNZAWEY-OSPHWJPCSA-N
InChI
InChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • (2S)-2'-Methoxykurarinone

Work with 2'-O-Methylkurarinone

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

Sophoraflavanone G97938-30-277 % similar Kushenol A99217-63-768 % similar Kushenol I99119-69-468 % similar Isoxanthohumol70872-29-661 % similar 8-Prenylnaringenin53846-50-750 % similar Xanthohumol6754-58-141 % similar Hesperetin520-33-241 % similar Bavachinin19879-30-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook