Cas no 79029-98-4 (coriaria lactone)
coriaria lactone structure
Product Name:coriaria lactone
CAS No:79029-98-4
MF:C15H18O6
MW:294.299825191498
CID:581352
PubChem ID:71300396
Update Time:2025-04-19
coriaria lactone Chemical and Physical Properties
Names and Identifiers
-
- coriaria lactone
- (2R,3S,5R,6R,7R,8S,9R,12S)-2,8-dihydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
- 79029-98-4
-
- Inchi： 1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7?,8-,9-,10-,11+,13+,14-,15+/m1/s1
- InChI Key： CCAZWUJBLXKBAY-SEYXFWDXSA-N
- SMILES： O1[C@H]2[C@@H]1[C@]1(CO1)[C@]1(C)[C@@H]([C@H]3[C@H](C(=C)C)C(C(=O)O3)[C@@]12O)O
Computed Properties
- Exact Mass: 294.11033829g/mol
- Monoisotopic Mass: 294.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 603
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 91.8?2
coriaria lactone Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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