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

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
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