Cas no 164178-49-8 ((12R,14R,18R,19R)-18-Hydroxy-11-methyl-20-oxo-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),15-pentaene-15-carbaldehyde)
![(12R,14R,18R,19R)-18-Hydroxy-11-methyl-20-oxo-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),15-pentaene-15-carbaldehyde structure](https://ossimg.kuujia.com/scimg/164500/164178-49-8x500.png)
164178-49-8 structure
Product Name:(12R,14R,18R,19R)-18-Hydroxy-11-methyl-20-oxo-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),15-pentaene-15-carbaldehyde
CAS No:164178-49-8
MF:C21H22N2O3
MW:350.410985469818
CID:227136
Update Time:2024-03-01
(12R,14R,18R,19R)-18-Hydroxy-11-methyl-20-oxo-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),15-pentaene-15-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 1,7b-Diazabenzo[5,6]cyclohepta[1,2,3-jk]fluorene-12-carboxaldehyde,1,2,3,8,8a,9,10,12a,13,13a-decahydro-9-hydroxy-1-methyl-8-oxo-,(8aR,9R,12aR,13aR)- (9CI)
- 1,7b-Diazabenzo[5,6]cyclohepta[1,2,3-jk]fluorene-12-carboxaldehyde,1,2,3,8,8a,9,10,12a,13,13a-decahydro-9-hydroxy-1-methyl-8-
- (-)-Correantine C
- 1,7b-Diazabenzo[5,6]cyclohepta[1,2,3-jk]fluorene-12-carboxaldehyde,1,2,3,8,8a,9,10,12a,13,13a-decahydro-9-hydroxy-1-methyl-8-oxo-, [8aR-(8aa,9a,12ab,13aa)]-
- Correantine C
- (12R,14R,18R,19R)-18-Hydroxy-11-methyl-20-oxo-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa
- (12R,14R,18R,19R)-18-Hydroxy-11-methyl-20-oxo-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),15-pentaene-15-carbaldehyde
-
- Inchi： 1S/C21H22N2O3/c1-22-9-8-14-13-4-2-3-5-16(13)23-20(14)17(22)10-15-12(11-24)6-7-18(25)19(15)21(23)26/h2-6,11,15,17-19,25H,7-10H2,1H3/t15-,17+,18+,19+/m0/s1
- InChI Key： KJVXWHLHSMZRHH-JCHJZTRSSA-N
- SMILES： O[C@@H]1CC=C(C=O)[C@@H]2C[C@@H]3C4=C(C5C=CC=CC=5N4C([C@H]21)=O)CCN3C
Computed Properties
- Exact Mass: 350.163
- Monoisotopic Mass: 350.163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 647
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 62.5
(12R,14R,18R,19R)-18-Hydroxy-11-methyl-20-oxo-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),15-pentaene-15-carbaldehyde Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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