chempirical

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. Search the SDS library

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

(+)-Eudesmin29106-36-380 % similar (-)-Eudesmin526-06-780 % similar (±)-Fargesin31008-19-268 % similar (+)-Piresil-4-O-beta-D-glucopyraside69251-96-363 % similar Vanillin propylene glycol acetal68527-74-256 % similar (+)-Yangambin13060-14-555 % similar 4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol78919-28-554 % similar Phillyrin487-41-254 % similar

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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