Cas no 25873-32-9 (Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)-)
25873-32-9 structure
Product Name:Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)-
CAS No:25873-32-9
MF:C17H22O5
MW:306.353585720062
CID:278897
PubChem ID:312136
Update Time:2025-04-19
Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)- Chemical and Physical Properties
Names and Identifiers
-
- Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)-
- (8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl) acetate
- Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,
- 25873-32-9
- PLENIRADIN ACETATE
- NSC220533
- DTXSID90309978
- NSC-220533
-
- Inchi: 1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3
- InChI Key: UTPGJEROJZHISI-UHFFFAOYSA-N
- SMILES: OC1(C)CC(C2C(C)=CC3C(C(=C)C(=O)O3)CC21)OC(C)=O
Computed Properties
- Exact Mass: 306.14676
- Monoisotopic Mass: 306.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 578
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.23
- Boiling Point: 463.1°C at 760 mmHg
- Flash Point: 167.1°C
- Refractive Index: 1.55
- PSA: 72.83
- LogP: 1.75300
Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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