Cas no 466-08-0 ((3alpha,5alpha,8xi,9xi)-3,14-dihydroxycard-20(22)-enolide)
466-08-0 structure
Product Name:(3alpha,5alpha,8xi,9xi)-3,14-dihydroxycard-20(22)-enolide
CAS No:466-08-0
MF:C23H34O4
MW:374.513667583466
CID:1522576
PubChem ID:12305992
Update Time:2024-02-29
(3alpha,5alpha,8xi,9xi)-3,14-dihydroxycard-20(22)-enolide Chemical and Physical Properties
Names and Identifiers
-
- (3alpha,5alpha,8xi,9xi)-3,14-dihydroxycard-20(22)-enolide
- 3α,14-Dihydroxy-5α-card-20(22)-enolide
- 3-Epiuzarigenin
- Card-20(22)-enolide, 3,14-dihydroxy-, (3α,5α)-
-
- Inchi： 1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-/m0/s1
- InChI Key： XZTUSOXSLKTKJQ-VDUHJXGYSA-N
- SMILES： O1C(=O)C=C([C@@H]2[C@@]3(C)CC[C@]4([H])[C@@]5(C)CC[C@@H](O)C[C@]5([H])CC[C@@]4([H])[C@@]3(O)CC2)C1
Computed Properties
- Exact Mass: 374.246
- Monoisotopic Mass: 374.246
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 686
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 66.8A^2
Experimental Properties
- Density: 1.231
- Boiling Point: 549.3°C at 760 mmHg
- Flash Point: 188.2°C
- Refractive Index: 1.59
(3alpha,5alpha,8xi,9xi)-3,14-dihydroxycard-20(22)-enolide Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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