Cas no 100205-29-6 (2,5-Cyclohexadiene-1,4-dione,3-(10-heptadecenyl)-2-hydroxy-5-methoxy-, (Z)-)
100205-29-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,3-(10-heptadecenyl)-2-hydroxy-5-methoxy-, (Z)-
CAS No:100205-29-6
MF:C24H38O4
MW:390.556128025055
CID:1125079
PubChem ID:101681929
Update Time:2024-03-01
2,5-Cyclohexadiene-1,4-dione,3-(10-heptadecenyl)-2-hydroxy-5-methoxy-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,3-(10-heptadecenyl)-2-hydroxy-5-methoxy-, (Z)-
- 2,5-Cyclohexadiene-1,4-dione, 3-(10Z)-10-heptadecen-1-yl-2-hydroxy-5-methoxy-
- CHEMBL3425917
- 3-Hydroxyirisquinone
- 100205-29-6
- CS-0851526
- HY-N11789
- 5-Hydroxyirisquinone
-
- Inchi： 1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)21(25)19-22(28-2)24(20)27/h8-9,19,26H,3-7,10-18H2,1-2H3/b9-8-
- InChI Key： GCSKCOTXJCWJBF-HJWRWDBZSA-N
- SMILES： C1(=O)C=C(OC)C(=O)C(CCCCCCCCC/C=C\CCCCCC)=C1O
Computed Properties
- Exact Mass: 390.27700969g/mol
- Monoisotopic Mass: 390.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 16
- Complexity: 569
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.024
- Topological Polar Surface Area: 63.6?2
2,5-Cyclohexadiene-1,4-dione,3-(10-heptadecenyl)-2-hydroxy-5-methoxy-, (Z)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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