chempirical

Acetylcorynoline

C23H23NO6CAS 18797-80-3409.44 g/mol

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AcetalEsterEtherTertiary amine

Properties

Molecular formula
C23H23NO6
Molar mass
409.44 g/mol
Exact mass
409.1525 Da
logP
3.08Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
1
Stereocentres
S, R, Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, P501

Identifiers

CAS number
18797-80-3
SMILES
CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3
InChIKey
PUHCFWFODBLSAP-WWNPGLIZSA-N
InChI
InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1

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Names and synonyms

9 names
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, 6-acetate, (5bR,6S,12bR)-
  • Corynoline, acetate (ester)
  • Chelidonine, 13-methyl-, acetate (ester)
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, acetate (ester), (5bR,6S,12bR)-
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine, chelidonine deriv.
  • Corynoline acetate
  • O-Acetylcorynoline
  • (+)-Corynoline acetate
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, acetate (ester), [5bR-(5bα,6β,12bα)]-

Work with Acetylcorynoline

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

Corynoline18797-79-068 % similar Chelidonine476-32-446 % similar Bicuculline485-49-440 % similar (-)-Hydrastine118-08-135 % similar Protopine130-86-935 % similar Noscapine128-62-133 % similar Noscapine hydrochloride912-60-731 % similar Piperonyl acetate326-61-431 % similar

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

Same formula

Fmoc-glu(oall)-oh133464-46-7 1-(2-Propen-1-yl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate144120-54-7

Elsewhere

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