Rhodiolinin

C25H20O10CAS 86831-53-0480.43 g/mol

Open in Covalent MOL file
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AlcoholEtherPhenol

Properties

Molecular formula
C25H20O10
Molar mass
480.43 g/mol
Exact mass
480.1056 Da
logP
3.16Crippen estimate
Polar surface area
159.0 Ų
H-bond donors / acceptors
5 / 10
Rotatable bonds
4
Stereocentres
R, 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
86831-53-0
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O
InChIKey
POVCYOFRCMBMKD-XMSQKQJNSA-N
InChI
InChI=1S/C25H20O10/c1-32-16-8-12(4-7-14(16)28)22-18(10-26)34-24-17(33-22)9-15(29)19-20(30)21(31)23(35-25(19)24)11-2-5-13(27)6-3-11/h2-9,18,22,26-29,31H,10H2,1H3/t18-,22-/m1/s1

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Names and synonyms

1 names
  • Rhodiolin

Work with Rhodiolinin

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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