Cas no 220271-86-3 (Lup-20(29)-en-28-al, 3,23-dihydroxy-, (3β,4α)-)
220271-86-3 structure
Product Name:Lup-20(29)-en-28-al, 3,23-dihydroxy-, (3β,4α)-
CAS No:220271-86-3
MF:C30H48O3
MW:456.700329780579
CID:267752
Update Time:2024-03-01
Lup-20(29)-en-28-al, 3,23-dihydroxy-, (3β,4α)- Chemical and Physical Properties
Names and Identifiers
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- Lup-20(29)-en-28-al,3,23-dihydroxy-, (3b,4a)-
- Swinniol
- Lup-20(29)-en-28-al, 3,23-dihydroxy-, (3β,4α)-
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- Inchi： 1S/C30H48O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h18,20-25,31,33H,1,7-17H2,2-6H3
- InChI Key： QKLZFJVVMKFYSN-UHFFFAOYSA-N
- SMILES： CC(C1C2C(C=O)(CCC3(C4(C(C5(C(CC4)C(CO)(C)C(O)CC5)C)CCC32)C)C)CC1)=C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- XLogP3: 9.118
Lup-20(29)-en-28-al, 3,23-dihydroxy-, (3β,4α)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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