Cas no 83780-27-2 (1,7-Dioxaspiro[5.5]undecane-3-methanol,9-ethyl-4-hydroxy-, (3S,4S,6R,9R)-)
![1,7-Dioxaspiro[5.5]undecane-3-methanol,9-ethyl-4-hydroxy-, (3S,4S,6R,9R)- structure](https://ossimg.kuujia.com/scimg/84000/83780-27-2x500.png)
83780-27-2 structure
Product Name:1,7-Dioxaspiro[5.5]undecane-3-methanol,9-ethyl-4-hydroxy-, (3S,4S,6R,9R)-
CAS No:83780-27-2
MF:C12H22O4
MW:230.300684452057
CID:732836
PubChem ID:158569
Update Time:2025-04-19
1,7-Dioxaspiro[5.5]undecane-3-methanol,9-ethyl-4-hydroxy-, (3S,4S,6R,9R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Dioxaspiro[5.5]undecane-3-methanol,9-ethyl-4-hydroxy-, (3S,4S,6R,9R)-
- talaromycin B
- TALAROMYCIN-B
- 1,7-DIOXASPIRO(5.5)UNDECANE-3-METHANOL, 9-ETHYL-4-HYDROXY-, (3S-(3.ALPHA.,4.BETA.,6.ALPHA.(S*)))-(3S,4S,6R,9R)-9-ETHYL-4-HYDROXY-1,7-DIOXASPIRO(5.5)UNDECANE-3-METHANOL
- SCHEMBL10566018
- (-)-Talaromycin B
- UNII-BE3756MH6J
- BE3756MH6J
- (3S,4S,6R,9R)-9-ETHYL-4-HYDROXY-1,7-DIOXASPIRO(5.5)UNDECANE-3-METHANOL
- 1,7-Dioxaspiro(5.5)undecane-3-methanol, 9-ethyl-4-hydroxy-, (3S,4S,6R,9R)-
- DTXSID90232636
- (3R,6R,8S,9S)-3-ETHYL-9-(HYDROXYMETHYL)-5,11-DIOXASPIRO(5.5)UNDECAN-8-OL
- (3S,4S,6R,9R)-9-ETHYL-3-(HYDROXYMETHYL)-1,7-DIOXASPIRO[5.5]UNDECAN-4-OL
- 83780-27-2
-
- Inchi： 1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10+,11+,12-/m1/s1
- InChI Key： VDWRKBZMQNPUOB-NOOOWODRSA-N
- SMILES： O1C[C@H](CC)CC[C@]21C[C@@H]([C@@H](CO)CO2)O
Computed Properties
- Exact Mass: 230.152
- Monoisotopic Mass: 230.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 233
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- Density: 1.15
- Boiling Point: 397.4°Cat760mmHg
- Flash Point: 194.1°C
- Refractive Index: 1.514
1,7-Dioxaspiro[5.5]undecane-3-methanol,9-ethyl-4-hydroxy-, (3S,4S,6R,9R)- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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