Cas no 82206-10-8 (2(5H)-Furanone,4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5S)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-5-methylene-)
82206-10-8 structure
Product Name:2(5H)-Furanone,4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5S)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-5-methylene-
CAS No:82206-10-8
MF:C34H50O8
MW:586.756011486053
CID:723118
Update Time:2024-03-01
2(5H)-Furanone,4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5S)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-5-methylene- Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone,4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5S)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-5-methylene-
- 2(5H)-Furanone,4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5S)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-prop
- 4-hydroxy-3-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propanoyl]-5-methylidenefur
- tetronomycin
- nchembio.285-comp9
-
- Inchi: 1S/C34H50O8/c1-19-9-7-10-24(29(19)21(3)31(36)30-32(37)23(5)40-34(30)38)17-25(18-35)33-20(2)13-14-27(42-33)12-8-11-26-15-16-28(41-26)22(4)39-6/h8,12,17,19-22,24,26-29,33,35,37H,5,7,9-11,13-16,18H2,1-4,6H3/b12-8+,25-17+/t19-,20-,21+,22+,24-,26+,27-,28-,29-,33-/m0/s1
- InChI Key: RDKPMGJEUBFWAE-OUIQBBCVSA-N
- SMILES: O1C(=C)C(O)=C(C(=O)[C@@H]([C@@H]2[C@@H](C)CCC[C@H]2/C=C(/[C@H]2O[C@@H](/C=C/C[C@@H]3CC[C@@H]([C@H](OC)C)O3)CC[C@@H]2C)\CO)C)C1=O
Computed Properties
- Exact Mass: 586.350569
- Monoisotopic Mass: 586.350569
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 42
- Rotatable Bond Count: 11
- Complexity: 1090
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 112
- XLogP3: 5.994
Experimental Properties
- Density: 1.17
- Boiling Point: 714.1°C at 760 mmHg
- Flash Point: 219.4°C
- Refractive Index: 1.551
2(5H)-Furanone,4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5S)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-5-methylene- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
82206-10-8 (2(5H)-Furanone,4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5S)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-5-methylene-) Related Products
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