chempirical

Songorine

C22H31NO3CAS 509-24-0357.49 g/mol

Open in Covalent MOL file
OHONHO
AlcoholAlkeneKetoneTertiary amine

Properties

Molecular formula
C22H31NO3
Molar mass
357.49 g/mol
Exact mass
357.2304 Da
Melting point
201–203 °C
logP
2.00Crippen estimate
Polar surface area
60.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, R, R, R, S, R, R, R, R, Sin SMILES atom order

Identifiers

CAS number
509-24-0
SMILES
C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](CC2=O)[C@@]12[C@@H]4C[C@H]3[C@H]1N(CC)C[C@]4(C)CC[C@@H]2O
InChIKey
CBOSLVQFGANWTL-OFDXIEKGSA-N
InChI
InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 12,3,6a-Ethanylylidene-9,11a-methanoazuleno[2,1-b]azocin-8(9H)-one, 1-ethyldodecahydro-6,11-dihydroxy-3-methyl-10-methylene-, (3R,6S,6aR,6bR,9R,11R,11aR,12R,12aR,14R)-
  • 7,20-Cycloveatchan-12-one, 21-ethyl-1,15-dihydroxy-4-methyl-16-methylene-, (1α,15β)-
  • (3R,6S,6aR,6bR,9R,11R,11aR,12R,12aR,14R)-1-Ethyldodecahydro-6,11-dihydroxy-3-methyl-10-methylene-12,3,6a-ethanylylidene-9,11a-methanoazuleno[2,1-b]azocin-8(9H)-one
  • Songorin
  • Napellonine
  • Napellonin
  • Zongorine
  • Bullatine G
  • Xuan-wu 2
  • 12,3,6a-Ethanylylidene-9,11a-methanoazuleno[2,1-b]azocin-8(9H)-one, 1-ethyldodecahydro-6,11-dihydroxy-3-methyl-10-methylene-, [3R-(3α,6β,6aα,6bα,9β,11α,11aβ,12α,12aβ,14R*)]-

Work with Songorine

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

12-Epinapelline110064-71-670 % similar Denudatine26166-37-049 % similar Karakoline39089-30-043 % similar

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

Same formula

Oxybutynin5633-20-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook