Cas no 1448-22-2 (Picras-3-en-16-one,11,20-epoxy-1,2,11,12,15-pentahydroxy-, (1b,2a,11b,12a,15b)- (9CI))
1448-22-2 structure
Product Name:Picras-3-en-16-one,11,20-epoxy-1,2,11,12,15-pentahydroxy-, (1b,2a,11b,12a,15b)- (9CI)
CAS No:1448-22-2
MF:C20H28O8
MW:396.431527137756
CID:164057
PubChem ID:225484
Update Time:2025-04-19
Picras-3-en-16-one,11,20-epoxy-1,2,11,12,15-pentahydroxy-, (1b,2a,11b,12a,15b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Picras-3-en-16-one,11,20-epoxy-1,2,11,12,15-pentahydroxy-, (1b,2a,11b,12a,15b)- (9CI)
- GLAUCARUBOL
- 1,2,11,12,15-pentahydroxy-11,20-epoxypicras-3-en-16-one
- AC1L5E2H
- AC1Q6PCT
- AR-1B4958
- KST-1B0947
- NSC14974
- SMR001566647
- NCI60_001033
- DTXSID80279979
- CHEMBL1719883
- PD011322
- NSC-14974
- MLS002702819
- 1448-22-2
-
- Inchi： 1S/C20H28O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-15,17,21-24,26H,5-6H2,1-3H3
- InChI Key： YJIBLZYQKYKXFP-UHFFFAOYSA-N
- SMILES： O1CC23C4CC5C(C)=CC(C(C5(C)C2C1(C(C(C)C3C(C(=O)O4)O)O)O)O)O
Computed Properties
- Exact Mass: 396.17844
- Monoisotopic Mass: 396.17841785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 0
- Complexity: 767
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 12
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 137?2
Experimental Properties
- PSA: 136.68
Picras-3-en-16-one,11,20-epoxy-1,2,11,12,15-pentahydroxy-, (1b,2a,11b,12a,15b)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Quassinoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Quassinoids
- Natural Products and Extracts Plant Extracts Plant based Castela polyandra
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