Cas no 180468-71-7 (Solandelactone G; 11-Epimer, 19,20-dihydro)
180468-71-7 structure
Product Name:Solandelactone G; 11-Epimer, 19,20-dihydro
CAS No:180468-71-7
MF:C22H34O4
MW:362.502967357636
CID:2735306
PubChem ID:16007093
Update Time:2025-04-21
Solandelactone G; 11-Epimer, 19,20-dihydro Chemical and Physical Properties
Names and Identifiers
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- Solandelactone E
- 180468-71-7
- (2R,4Z)-2-((1R,2R)-2-((1S,2E,4S,6Z)-1,4-dihydroxydodeca-2,6-dienyl)cyclopropyl)-2,3,6,7-tetrahydrooxocin-8-one
- (2R,4Z)-2-[(1R,2R)-2-[(1S,2E,4S,6Z)-1,4-dihydroxydodeca-2,6-dienyl]cyclopropyl]-2,3,6,7-tetrahydrooxocin-8-one
- Solandelactone G; 11-Epimer, 19,20-dihydro
-
- Inchi： 1S/C22H34O4/c1-2-3-4-5-6-8-11-17(23)14-15-20(24)18-16-19(18)21-12-9-7-10-13-22(25)26-21/h6-9,14-15,17-21,23-24H,2-5,10-13,16H2,1H3
- InChI Key： ZMCHHZFBGBLCJE-UHFFFAOYSA-N
- SMILES： CCCCCC=CCC(C=CC(C1C(C2OC(=O)CCC=CC2)C1)O)O
Computed Properties
- Exact Mass: 362.24570956Da
- Monoisotopic Mass: 362.24570956Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 508
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.704
- Topological Polar Surface Area: 66.8?2
Solandelactone G; 11-Epimer, 19,20-dihydro Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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