chempirical

Tuberostemonine

C22H33NO4CAS 6879-01-2375.51 g/mol

Open in Covalent MOL file
NOOOO
EsterLactoneTertiary amine

Properties

Molecular formula
C22H33NO4
Molar mass
375.51 g/mol
Exact mass
375.2410 Da
Melting point
63 °C
logP
3.01Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2
Stereocentres
R, R, R, R, S, S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
6879-01-2
SMILES
CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]2C[C@H](C)C(=O)O2)[C@@H]2[C@H]1OC(=O)[C@H]2C
InChIKey
GYOGHROCTSEKDY-JJDZUBOLSA-N
InChI
InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-
  • Stenine, 2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, [2β(2S,4S)]-
  • Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-[(2S,5S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-
  • (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-8-Ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one
  • Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, [2S-[2α(2R*,4R*),7aα,8α,8aα,11α,11aα,11bβ,11cα]]-
  • Tuberostemonin
  • NSC 366235

Work with Tuberostemonine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Neotuberostemonine143120-46-1Diastereomer

Elsewhere

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