chempirical

Moracin P

C19H18O5CAS 102841-46-3326.35 g/mol

Open in Covalent MOL file
OOOHOHHO
AlcoholEtherPhenol

Properties

Molecular formula
C19H18O5
Molar mass
326.35 g/mol
Exact mass
326.1154 Da
logP
3.59Crippen estimate
Polar surface area
83.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
102841-46-3
SMILES
CC1(C)Oc2cc3oc(-c4cc(O)cc(O)c4)cc3cc2C[C@H]1O
InChIKey
QFUCSEIKNTUPPA-GOSISDBHSA-N
InChI
InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • 1,3-Benzenediol, 5-[(6R)-6,7-dihydro-6-hydroxy-7,7-dimethyl-5H-furo[3,2-g][1]benzopyran-2-yl]-
  • 5-[(6R)-6,7-Dihydro-6-hydroxy-7,7-dimethyl-5H-furo[3,2-g][1]benzopyran-2-yl]-1,3-benzenediol
  • (-)-Moracin P
  • (R)-(-)-Moracin P

Work with Moracin P

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

Mulberroside C102841-43-070 % similar (+)-Decursinol23458-02-858 % similar (+)-Decursin5928-25-635 % similar Nodakenin495-31-832 % similar Marmesin13849-08-632 % similar Nodakenetin495-32-932 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook