Denudatine

C22H33NO2CAS 26166-37-0343.51 g/mol

Open in Covalent MOL file
HONOH
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C22H33NO2
Molar mass
343.51 g/mol
Exact mass
343.2511 Da
Melting point
248–249 °C
logP
2.82Crippen estimate
Polar surface area
43.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
R, S, S, S, S, R, R, R, R, Rin 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
26166-37-0
SMILES
C=C1[C@H]2CC[C@]3([C@@H]([C@H]2O)[C@@]24CCC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O
InChIKey
OVXLNQAYPUEDSI-ZAWREGRRSA-N
InChI
InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14+,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

4 names
  • 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-7,10-diol, 1-ethyldodecahydro-3-methyl-9-methylene-, (3R,6aS,6bS,7S,8R,10R,10aS,11R,11aR,13R)-
  • 7,20-Cycloatidane-11,15-diol, 16,17-didehydro-21-ethyl-4-methyl-, (11β,15β)-
  • (3R,6aS,6bS,7S,8R,10R,10aS,11R,11aR,13R)-1-Ethyldodecahydro-3-methyl-9-methylene-8,10a-ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-7,10-diol
  • 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-7,10-diol, 1-ethyldodecahydro-3-methyl-9-methylene-, [3R-(3α,6aα,6bα,7α,8β,10α,10aβ,11α,11aβ,13R*)]-

Work with Denudatine

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-Epinapelline110064-71-655 % similar Songorine509-24-049 % similar Karakoline39089-30-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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