Cas no 83136-88-3 (6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-,(6aR,10Z,11aS,11bR)-)
![6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-,(6aR,10Z,11aS,11bR)- structure](https://ossimg.kuujia.com/scimg/83500/83136-88-3x500.png)
83136-88-3 structure
Product Name:6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-,(6aR,10Z,11aS,11bR)-
CAS No:83136-88-3
MF:C20H20N2O3
MW:336.384405136108
CID:720606
PubChem ID:135494311
Update Time:2025-04-19
6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-,(6aR,10Z,11aS,11bR)- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-,(6aR,10Z,11aS,11bR)-
- 6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(...
- 6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimeth
- CYCLOPIAZONIC ACID
- DB07604
- HMS1989B05
- alpha-Cyclopiazonic acid
- CCG-208182
- NCGC00163130-02
- NCGC00163130-01
- (6aR,10Z,11aS,11bR)-10-(1-hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
- 9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one,10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-,(6aR,11aS,11bR)-rel-
- CHEMBL480627
- CHEBI:17734
- NCGC00163130-03
- CHEMBL468766
- MFCD00167445
- (2R,3S,5Z,9R)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
- CHEBI:22450
- Cyclopiazonic acid from Penicillium cyclopium
- HMS3402B05
- 83136-88-3
- BDBM50527068
- HMS1791B05
- Cyclopiazonic acid, 98%
- BDBM50453613
-
- Inchi： 1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1
- InChI Key： CNZIQHGDUXRUJS-PTNHGACKSA-N
- SMILES： O=C1/C(=C(\C)/O)/C(N2[C@H]1[C@H]1C3=CNC4C=CC=C(C3=4)C[C@H]1C2(C)C)=O
Computed Properties
- Exact Mass: 336.147393
- Monoisotopic Mass: 336.147393
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 697
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 73.4
- XLogP3: 2.9
Experimental Properties
- Melting Point: 245-246 °C
- Solubility: DMSO: soluble
- PSA: 73.40000
- LogP: 2.76580
6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-,(6aR,10Z,11aS,11bR)- Security Information
- Hazardous Material transportation number：UN 2811 6.1/PG 2
- WGK Germany：3
- Hazard Category Code： 25
- Safety Instruction： 36/37/39-45
- RTECS：UY8587000
-
Hazardous Material Identification：
- Storage Condition：?20°C
6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione,6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-,(6aR,10Z,11aS,11bR)- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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