3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H):7''',3''''a(1''''H)-Quinquepyrrolo(2,3-b)indole, 2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8'a,8''a,8'''a,8''''a-eicosahydro-1,1',1'',1''',1''''-pentamethyl-, stereoisomer
Grundinformationen
- CAS
52617-25-1- Standard-SMILES
CN1CCC2(c3cccc4c3NC3N(C)CCC43c3cccc4c3NC3N(C)CCC43C34CCN(C)C3Nc3c(C56CCN(C)C5Nc5ccccc56)cccc34)c3ccccc3NC12- InChIKey
DVJSMVZSIBHXAO-UHFFFAOYSA-N- Summenformel
- C55H62N10
- Durchschnittliche Molmasse
- 863,1 g/mol
- Monoisotopische Masse
- 862,51589202
Überblick
Psychotridine is a pyrroloindole.
Namen und Bezeichner
- Bevorzugter Name
- 3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H):7''',3''''a(1''''H)-Quinquepyrrolo(2,3-b)indole, 2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8'a,8''a,8'''a,8''''a-eicosahydro-1,1',1'',1''',1''''-pentamethyl-, stereoisomer
- IUPAC
- 3-methyl-5,8b-bis[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
- Englischer Name
- psychotridine
- Summenformel
- C55H62N10
- Molmasse
- 863.15
Namen und Synonyme
Psychotridine52617-25-13-methyl-5,8b-bis[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indoleDTXSID5010462923-methyl-5,8b-bis(3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo(2,3-b)indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo(2,3-b)indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo(2,3-b)indoleRefChem:911654DTXCID7015281233a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H):7''',3''''a(1''''H)-Quinquepyrrolo(2,3-b)indole, 2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8'a,8''a,8'''a,8''''a-eicosahydro-1,1',1'',1''',1''''-pentamethyl-, stereoisomerIsopsychotridineDVJSMVZSIBHXAO-UHFFFAOYSA-NC55H62N10CHEBI:8621
Weitere Namen anzeigen
3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H):7''',3''''a(1''''H)-Quinquepyrrolo[2,3-b]indole, 2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8'a,8''a,8'''a,8''''a-eicosahydro-1,1',1'',1''',1''''-pentamethyl-, stereoisomer (9CI)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,4
- Polarare Oberfläche (TPSA)
- 76,4 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 65
- Formalladung
- 0
- Komplexität
- 1.880
Physikochemische Eigenschaften
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO: soluble
- Aggregatzustand
- A solid
Chemie und Industrie
Anwendungen
BeschreibungThe major alkaloid of Psy ch 0 tria beccarioides, this base has only recently been isolated and characterized. The structure is related to that of Hodgkinsine (q.v.), being the pentameric analogue. The constitution, based upon mass spectrometric data has been further confirmed by its conversion, through a pentamethiodide into a pentaindolenine base which is analogous to the tri-indolenine base obtained from hodgkinsine.
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