Sylvatesmin

C21H24O6CAS 487-39-8372.42 g/mol

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EtherPhenol

Properties

Molecular formula
C21H24O6
Molar mass
372.42 g/mol
Exact mass
372.1573 Da
logP
3.49Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
R, R, S, Rin SMILES atom order

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
487-39-8
SMILES
COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)OC
InChIKey
CPJKKWDCUOOTEW-YJPXFSGGSA-N
InChI
InChI=1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m0/s1

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Names and synonyms

1 names
  • (+)-Sylvatesmin

Work with Sylvatesmin

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

Same formula

Tetrahydrocurcumin36062-04-1 Arctigenin7770-78-7

Elsewhere

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