Cas no 109031-00-7 (methyl (1S,15R,16S,18S,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-3-carboxylate)
![methyl (1S,15R,16S,18S,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-3-carboxylate structure](https://ossimg.kuujia.com/scimg/109500/109031-00-7x500.png)
109031-00-7 structure
Product Name:methyl (1S,15R,16S,18S,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-3-carboxylate
CAS No:109031-00-7
MF:C21H26N2O4
MW:370.442145824432
CID:231402
Update Time:2024-03-01
methyl (1S,15R,16S,18S,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Oxayohimban-1-carboxylicacid, 17-hydroxy-19-methyl-, methyl ester, (17a,19a)- (9CI)
- (+)-Ajmalicidine
- 4H-Indolo[2,3-a]pyrano[3,4-g]quinolizine,oxayohimban-1-carboxylic acid deriv.
- 4H-Indolo[2,3-a]pyrano[3,4-g]quinolizine-13(2H)-carboxylic acid,1,4a,5,7,8,13b,14,14a-octahydro-2-hydroxy-4-methyl-, methyl ester,(2S,4S,4aR,13bS,14aR)-
- Ajmalicidine
- CID 101927009
- 17α-Hydroxy-19α-methyl-18-oxayohimban-1-carboxylic acid methyl ester
- methyl (1S,15R,16S,18S,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-3-carboxylate
-
- Inchi： 1S/C21H26N2O4/c1-12-16-11-22-8-7-15-14-5-3-4-6-17(14)23(21(25)26-2)20(15)18(22)9-13(16)10-19(24)27-12/h3-6,12-13,16,18-19,24H,7-11H2,1-2H3/t12-,13+,16+,18-,19-/m0/s1
- InChI Key： HVGMWXRXQCDMCS-ASVZHYIHSA-N
- SMILES： O1[C@@H](C[C@H]2C[C@H]3C4=C(C5C=CC=CC=5N4C(=O)OC)CCN3C[C@@H]2[C@@H]1C)O
Computed Properties
- Exact Mass: 370.189
- Monoisotopic Mass: 370.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 587
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.9
- XLogP3: 1.125
methyl (1S,15R,16S,18S,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-3-carboxylate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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