Nodakenin

C₂₀H₂₄O₉CAS 495-31-8408.40 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₂₀H₂₄O₉
Molar mass: 408.40 g/mol
Exact mass: 408.1420 Da
Melting point: 218 °C (decomposes)
logP: -0.31Crippen estimate
Polar surface area: 138.8 Å²
H-bond donors / acceptors: 4 / 9
Rotatable bonds: 4
Stereocentres: S, R, S, S, R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

495-31-8

SMILES

CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1

InChIKey

HXCGUCZXPFBNRD-DNLMCPORSA-N

InChI

InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1

Weigh it out

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

Names and synonyms

5 names

7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(β-D-glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-, (2R)-
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(β-D-glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-, (R)-
(2R)-2-[1-(β-D-Glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
Nodakenetin, β-D-glucopyranoside
(+)-Marmesinin

Work with Nodakenin

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

Scopolin531-44-261 % similar Aesculin531-75-958 % similar Skimmin93-39-057 % similar Marmesin13849-08-656 % similar Nodakenetin495-32-956 % similar (+)-Decursinol23458-02-852 % similar Fraxin524-30-147 % similar (+)-Decursin5928-25-645 % similar

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

Same formula

Ginkgolide A15291-75-5 Eurycomanone84633-29-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook