Cas no 105608-29-5 ((11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one)
![(11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one structure](https://ossimg.kuujia.com/scimg/106000/105608-29-5x500.png)
105608-29-5 structure
Product Name:(11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one
CAS No:105608-29-5
MF:C18H19NO5
MW:329.347165346146
CID:148176
PubChem ID:163008618
Update Time:2024-03-01
(11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one Chemical and Physical Properties
Names and Identifiers
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- Hasubanan-7-one,8,10-epoxy-8-hydroxy-17-methyl-2,3-[methylenebis(oxy)]-, (8b,10b)- (9CI)
- Stephanaberrine
- (11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa
- (11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one
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- Inchi： 1S/C18H19NO5/c1-19-5-4-16-3-2-15(20)18(21)17(16,19)8-14(24-18)10-6-12-13(7-11(10)16)23-9-22-12/h6-7,14,21H,2-5,8-9H2,1H3/t14-,16?,17?,18-/m1/s1
- InChI Key： CRHLDFQHFBGPOT-AGERRDQYSA-N
- SMILES： O1[C@H]2C3C=C4C(=CC=3C35CCC([C@@]1(C3(C2)N(C)CC5)O)=O)OCO4
Computed Properties
- Exact Mass: 329.12632271g/mol
- Monoisotopic Mass: 329.12632271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 627
- 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: 68.2
- XLogP3: 0.6
(11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
105608-29-5 ((11R,14S)-14-Hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one) Related Products
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