Cas no 34272-52-1 ((2R,7S,8S)-7-[(1Z)-but-1-en-3-yn-1-yl]-2-penta-3,4-dien-1-yl-1-azaspiro[5.5]undecan-8-ol)
![(2R,7S,8S)-7-[(1Z)-but-1-en-3-yn-1-yl]-2-penta-3,4-dien-1-yl-1-azaspiro[5.5]undecan-8-ol structure](https://ossimg.kuujia.com/scimg/34500/34272-52-1x500.png)
34272-52-1 structure
Product Name:(2R,7S,8S)-7-[(1Z)-but-1-en-3-yn-1-yl]-2-penta-3,4-dien-1-yl-1-azaspiro[5.5]undecan-8-ol
CAS No:34272-52-1
MF:C19H27NO
MW:285.423785448074
CID:1463037
PubChem ID:6442677
Update Time:2025-04-20
(2R,7S,8S)-7-[(1Z)-but-1-en-3-yn-1-yl]-2-penta-3,4-dien-1-yl-1-azaspiro[5.5]undecan-8-ol Chemical and Physical Properties
Names and Identifiers
-
- (2R,7S,8S)-7-[(1Z)-but-1-en-3-yn-1-yl]-2-penta-3,4-dien-1-yl-1-azaspiro[5.5]undecan-8-ol
- 34272-52-1
- Isohistrionicotoxin, dihydro-
- HTX 285A
- (-)-Histrionicotoxin 285A
- Isodihydrohistrionicotoxin
-
- Inchi： 1S/C19H27NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h2,5-6,12,16-18,20-21H,1,7-11,13-15H2/b12-6+
- InChI Key： FQVXLUMKQROGDW-WUXMJOGZSA-N
- SMILES： OC1C(/C=C/C#C)C2(NC(CCC=C=C)CCC2)CCC1
Computed Properties
- Exact Mass: 285.20941
- Monoisotopic Mass: 285.209264
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 465
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.3
- XLogP3: 2.9
Experimental Properties
- Density: 1
- Boiling Point: 413.2°C at 760 mmHg
- Flash Point: 80.2°C
- Refractive Index: 1.535
- PSA: 32.26
(2R,7S,8S)-7-[(1Z)-but-1-en-3-yn-1-yl]-2-penta-3,4-dien-1-yl-1-azaspiro[5.5]undecan-8-ol Related Literature
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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