Cas no 65758-39-6 (methyl 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-13-methyl-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate)
![methyl 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-13-methyl-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate structure](https://ossimg.kuujia.com/scimg/66000/65758-39-6x500.png)
65758-39-6 structure
Product Name:methyl 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-13-methyl-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate
CAS No:65758-39-6
MF:C22H28N2O4
MW:384.468726158142
CID:962499
PubChem ID:6038603
Update Time:2025-04-19
methyl 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-13-methyl-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-13-methyl-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate
- DIHYDROCORYMINE, EPI-3
- DTXSID50421766
- NSC-381084
- 65758-39-6
- NSC381084
-
- Inchi： 1S/C22H28N2O4/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,25-26H,9-13H2,1-3H3/b14-4-
- InChI Key： VHHHUTQYLNXPEH-CPSFFCFKSA-N
- SMILES： OC1CC2/C(=C\C)/CN3CCC4(C5C=CC=CC=5N(C)C341)C2(C(=O)OC)CO
Computed Properties
- Exact Mass: 384.20490738g/mol
- Monoisotopic Mass: 384.20490738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 3
- Complexity: 725
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 73.2?2
methyl 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-13-methyl-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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