Cas no 33228-82-9 (19,20-Dehydroervatamin)
19,20-Dehydroervatamin structure
Product Name:19,20-Dehydroervatamin
CAS No:33228-82-9
MF:C21H24N2O3
MW:352.426865577698
CID:2048793
PubChem ID:14707491
Update Time:2025-04-21
19,20-Dehydroervatamin Chemical and Physical Properties
Names and Identifiers
-
- 19,20-Dehydroervatamin
- 19,20-Didehydroervatamine
- 19-Dehydroervatamin
- 4-ethylidene-2-methyl-6-oxo-2,3,4,4a,5,6,7,12-octahydro-1H-pyrido[3',4':4,5]cyclohepta[1,2-b]indole-12a-carboxylic acid methyl ester
- methyl (3R,7E,8S)-7-ethylidene-5-methyl-10-oxo-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-3-carboxylate
- Methyl (3R,7E,8S)-7-ethylidene-5-methyl-10-oxo-5,12-diazatetracyclo(9.7.0.0,.0,)octadeca-1(11),13,15,17-tetraene-3-carboxylic acid
- methyl (3R,7E,8S)-7-ethylidene-5-methyl-10-oxo-5,12-diazatetracyclo(9.7.0.03,8.013,18)octadeca-1(11),13,15,17-tetraene-3-carboxylate
- Methyl (3R,7E,8S)-7-ethylidene-5-methyl-10-oxo-5,12-diazatetracyclo[9.7.0.0,.0,]octadeca-1(11),13,15,17-tetraene-3-carboxylic acid
- 33228-82-9
-
- Inchi： 1S/C21H24N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h4-8,16,22H,9-12H2,1-3H3/b13-4+
- InChI Key： NFUNVPXUVUEVKF-YIXHJXPBSA-N
- SMILES： COC(C12CC3=C(NC4C3=CC=CC=4)C(=O)CC1/C(=C/C)/CN(C)C2)=O
Computed Properties
- Exact Mass: 352.17869263Da
- Monoisotopic Mass: 352.17869263Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 631
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.215
- Topological Polar Surface Area: 62.4?2
19,20-Dehydroervatamin Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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