Cas no 32209-77-1 ([(1R,14R,16S,20S,22S)-22-Acetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate)
![[(1R,14R,16S,20S,22S)-22-Acetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate structure](https://ossimg.kuujia.com/scimg/32500/32209-77-1x500.png)
32209-77-1 structure
Product Name:[(1R,14R,16S,20S,22S)-22-Acetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
CAS No:32209-77-1
MF:C31H39NO6
MW:521.644469499588
CID:312289
Update Time:2024-02-29
[(1R,14R,16S,20S,22S)-22-Acetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate Chemical and Physical Properties
Names and Identifiers
-
- 7,11:12,16-Dimetheno-2H-azacycloheptadecino[2,1,17-de]quinolizine-5,19-diol,1,3,3a,4,5,6,6a,17,18,19,20,20a-dodecahydro-10,13-dimethoxy-, diacetate(ester), stereoisomer (9CI)
- (12R)-Lythrancane-8α,12-diol diacetate
- Lythrancepin III
- LythrancepineIII (8CI)
- Lythrancine, 9-deoxy-, diacetate (ester)
- Lythrancepine III
- [(1R,14R,16S,20S,22S)-22-Acetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-
- [(1R,14R,16S,20S,22S)-22-Acetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
-
- Inchi： 1S/C31H39NO6/c1-19(33)37-25-11-8-21-9-12-30(35-3)27(14-21)28-15-22(10-13-31(28)36-4)29-18-26(38-20(2)34)17-24-7-5-6-23(16-25)32(24)29/h9-10,12-15,23-26,29H,5-8,11,16-18H2,1-4H3/t23-,24-,25+,26-,29+/m0/s1
- InChI Key： JEJLGHMYBHWNKG-LGUFPPMKSA-N
- SMILES： O(C(C)=O)[C@@H]1C[C@@H]2C3C=CC(=C(C4C(=CC=C(C=4)CC[C@H](C[C@@H]4CCC[C@@H](C1)N42)OC(C)=O)OC)C=3)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 38
- Rotatable Bond Count: 6
- Complexity: 820
- Topological Polar Surface Area: 74.3
[(1R,14R,16S,20S,22S)-22-Acetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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