Neotuberostemonine

C22H33NO4CAS 143120-46-1375.51 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
logP
3.01Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2
Stereocentres
R, R, R, S, S, S, S, 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
143120-46-1
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-UEIGSNQUSA-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

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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,8aR,11S,11aR,11bS,11cR)-
  • Stenine, 2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, [2β(2S,4S),10α,11α,12β]-
  • (2S,7aR,8R,8aR,11S,11aR,11bS,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
  • Stemonine LG
  • Tuberostemonine LG
  • (+)-Neotuberostemonine
  • 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,8aβ,11α,11aβ,11bα,11cα]]-

Work with Neotuberostemonine

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.

Tuberostemonine6879-01-2Diastereomer

Elsewhere

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