Cas no 34272-51-0 (1-Azaspiro[5.5]undecan-8-ol,7-(1Z)-1-buten-3-yn-1-yl-2-(2Z)-2-penten-4-yn-1-yl-, (2S,6R,7S,8S)-)
![1-Azaspiro[5.5]undecan-8-ol,7-(1Z)-1-buten-3-yn-1-yl-2-(2Z)-2-penten-4-yn-1-yl-, (2S,6R,7S,8S)- structure](https://ossimg.kuujia.com/scimg/34500/34272-51-0x500.png)
34272-51-0 structure
Product Name:1-Azaspiro[5.5]undecan-8-ol,7-(1Z)-1-buten-3-yn-1-yl-2-(2Z)-2-penten-4-yn-1-yl-, (2S,6R,7S,8S)-
CAS No:34272-51-0
MF:C19H25NO
MW:283.407905340195
CID:306531
PubChem ID:6437364
Update Time:2025-04-19
1-Azaspiro[5.5]undecan-8-ol,7-(1Z)-1-buten-3-yn-1-yl-2-(2Z)-2-penten-4-yn-1-yl-, (2S,6R,7S,8S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Azaspiro[5.5]undecan-8-ol,7-(1Z)-1-buten-3-yn-1-yl-2-(2Z)-2-penten-4-yn-1-yl-, (2S,6R,7S,8S)-
- (2S,6R,7S,8S)-7-(1Z)-1-BUTEN-3-YN-1-YL-2-(2Z)-2-PENTEN-4-YN-1-YL-1-AZASPIRO(5.5)UNDECAN-8-OL
- 34272-51-0
- UNII-TC29F9M9XW
- SCHEMBL1652672
- 1-Azaspiro(5.5)undecan-8-ol, 7-(1-buten-3-ynyl)-2-(2-penten-4-ynyl)-, (6R-(6alpha(2S*(Z)),7beta(Z),8alpha))-
- 1-Azaspiro(5.5)undecan-8-ol, 7-(1Z)-1-buten-3-ynyl-2-(2Z)-2-penten-4-ynyl-, (2S,6R,7S,8S)-
- Histrionicotoxin
- Histrionicotoxins
- (-)-HISTRIONICOTOXIN
- DTXSID50897083
- HTX- 283A
- TC29F9M9XW
- NS00075466
- 1-AZASPIRO(5.5)UNDECAN-8-OL, 7-(1Z)-1-BUTEN-3-YN-1-YL-2-(2Z)-2-PENTEN-4-YN-1-YL-, (2S,6R,7S,8S)-
- (-)-HTX
- (2S,6R,10S,11S)-11-[(Z)-but-1-en-3-ynyl]-2-[(Z)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol
- HISTRIONICOTOXIN [MI]
-
- Inchi： 1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5-,12-6-/t16-,17-,18+,19-/m1/s1
- InChI Key： JBRYWENFVHQBGY-AFVFYVOOSA-N
- SMILES： O[C@H]1CCC[C@]2(CCC[C@@H](C/C=C\C#C)N2)[C@@H]1/C=C\C#C
Computed Properties
- Exact Mass: 283.194
- Monoisotopic Mass: 283.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 500
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.3A^2
- XLogP3: 3.1
Experimental Properties
- Density: 1.05
- Melting Point: 75-76°
- Boiling Point: 411.1°Cat760mmHg
- Flash Point: 84.1°C
- Refractive Index: 1.56
- LogP: 3.12600
- Specific Rotation: D20 -112° (c = 0.34 in ethanol)
1-Azaspiro[5.5]undecan-8-ol,7-(1Z)-1-buten-3-yn-1-yl-2-(2Z)-2-penten-4-yn-1-yl-, (2S,6R,7S,8S)- Related Literature
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1. Nitrone dipolar cycloaddition routes to piperidines and indolizidines. Part 9. Formal synthesis of (?)-pinidine and total synthesis of (?)-histrionicotoxin, (+)-histrionicotoxin and (?)-histrionicotoxin 235AEdwin C. Davison,Martin E. Fox,Andrew B. Holmes,Stephen D. Roughley,Catherine J. Smith,Geoffrey M. Williams,John E. Davies,Paul R. Raithby,Joseph P. Adams,Ian T. Forbes,Neil J. Press,Mervyn J. Thompson J. Chem. Soc. Perkin Trans. 1 2002 1494
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Catherine J. Smith,Andrew B. Holmes,Neil J. Press Chem. Commun. 2002 1214
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Kunihiro Matsumura,Keisuke Nishikawa,Hiroaki Yoshida,Matsumi Doe,Yoshiki Morimoto RSC Adv. 2018 8 11296
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Alastair J. Hodges,Joseph P. Adams,Andrew D. Bond,Andrew B. Holmes,Neil J. Press,Stephen D. Roughley,John H. Ryan,Simon Saubern,Catherine J. Smith,Michael D. Turnbull,Annabella F. Newton Org. Biomol. Chem. 2012 10 8963
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5. Model studies of histrionicotoxin. The synthesis of the 1-azaspiro[5.5]undecane rings system from carbohydrate starting materialsKeith Brewster,John M. Harrison,Thomas D. Inch,Nancy Williams J. Chem. Soc. Perkin Trans. 1 1987 21
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