Cas no 82598-57-0 (2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aS,9aR,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6a-hydroxy-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2E)-)
![2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aS,9aR,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6a-hydroxy-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2E)- structure](https://ossimg.kuujia.com/scimg/83000/82598-57-0x500.png)
82598-57-0 structure
Product Name:2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aS,9aR,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6a-hydroxy-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2E)-
CAS No:82598-57-0
MF:C20H24O7
MW:376.401130520565
CID:729481
Update Time:2024-03-01
2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aS,9aR,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6a-hydroxy-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Butenoic acid,4-hydroxy-2-(hydroxymethyl)-,(3aR,4R,6aS,9aR,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6a-hydroxy-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester, (2E)-
- 2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aS,9aR,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6a-hydroxy-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2E)-
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- Inchi： 1S/C20H24O7/c1-10-4-6-20(25)11(2)8-14(26-19(24)13(9-22)5-7-21)15-12(3)18(23)27-17(15)16(10)20/h4-5,14-17,21-22,25H,2-3,6-9H2,1H3/b13-5+/t14-,15-,16-,17+,20-/m1/s1
- InChI Key： FYELXSMRGZZTNO-OIECKMMNSA-N
- SMILES： C(O[C@H]1[C@@]2([H])C(=C)C(=O)O[C@]2([H])[C@]2([H])[C@@](O)(CC=C2C)C(=C)C1)(=O)/C(/CO)=C/CO
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- XLogP3: -1.174
2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aS,9aR,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6a-hydroxy-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2E)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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