Cas no 25495-72-1 (3-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-Tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one)
![3-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-Tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one structure](https://ossimg.kuujia.com/scimg/25500/25495-72-1x500.png)
25495-72-1 structure
Product Name:3-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-Tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS No:25495-72-1
MF:C23H34O6
MW:406.512467861176
CID:268193
Update Time:2024-03-01
3-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-Tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,1,3,5,14-tetrahydroxy-, (1b,3b,5b)-
- 5b-Card-20(22)-enolide, 1b,3b,5,14-tetrahydroxy- (8CI)
- Evonogenin
- 3-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-Tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,1
- 3-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-Tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
-
- Inchi： 1S/C23H34O6/c1-20-6-3-16-17(4-7-22(27)11-14(24)10-18(25)21(16,22)2)23(20,28)8-5-15(20)13-9-19(26)29-12-13/h9,14-18,24-25,27-28H,3-8,10-12H2,1-2H3/t14-,15+,16-,17+,18+,20+,21-,22-,23-/m0/s1
- InChI Key： XAWJIWXPPHNYMT-WYSLSVFISA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)[C@@H](C[C@@H](C[C@]3(CC[C@@H]21)O)O)O
Computed Properties
- Exact Mass: 406.236
- Monoisotopic Mass: 406.236
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 765
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 107
3-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-Tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cardenolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Cardenolides and derivatives
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