chempirical

Rhodiolinin

C25H20O10CAS 86831-53-0480.43 g/mol

Open in Covalent MOL file
OOOOOHOHOOHOHOH
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. Search the SDS library

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

Weigh it out

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

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

Sophoflavescenol216450-65-651 % similar Rhodiosin86831-54-149 % similar Isorhamnetin480-19-349 % similar Icariside I56725-99-648 % similar Herbacetin527-95-747 % similar Rhodionin85571-15-947 % similar Herbacetin 3,8-O-diglucoside99224-12-147 % similar Icariside I hydrate128988-55-647 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook