Cas no 63979-70-4 (Card-20(22)-enolide,5,14-dihydroxy-3-(2-methyl-1-oxopropoxy)-19-oxo-, (3b,5b)- (9CI))
63979-70-4 structure
Product Name:Card-20(22)-enolide,5,14-dihydroxy-3-(2-methyl-1-oxopropoxy)-19-oxo-, (3b,5b)- (9CI)
Card-20(22)-enolide,5,14-dihydroxy-3-(2-methyl-1-oxopropoxy)-19-oxo-, (3b,5b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Card-20(22)-enolide,5,14-dihydroxy-3-(2-methyl-1-oxopropoxy)-19-oxo-, (3b,5b)- (9CI)
- 5,14-Dihydroxy-3-[(2-methylpropanoyl)oxy]-19-oxocard-20(22)-enolide
- 63979-70-4
- DTXSID90981556
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- Inchi： 1S/C27H38O7/c1-16(2)23(30)34-18-4-9-25(15-28)20-5-8-24(3)19(17-12-22(29)33-14-17)7-11-27(24,32)21(20)6-10-26(25,31)13-18/h12,15-16,18-21,31-32H,4-11,13-14H2,1-3H3/t18-,19+,20?,21?,24+,25-,26-,27-/m0/s1
- InChI Key： UBGSEHGYRYHFHA-RHEGXVRHSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CCC1[C@@]3(C=O)CC[C@@H](C[C@]3(CCC21)O)OC(C(C)C)=O
Computed Properties
- Exact Mass: 474.26175355g/mol
- Monoisotopic Mass: 474.26175355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 926
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 110?2
Card-20(22)-enolide,5,14-dihydroxy-3-(2-methyl-1-oxopropoxy)-19-oxo-, (3b,5b)- (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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