Cas no 203257-87-8 ((6aS)-9-acetyl-6a-methyl-3-[(1E)-prop-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione)
![(6aS)-9-acetyl-6a-methyl-3-[(1E)-prop-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione structure](https://ossimg.kuujia.com/scimg/203500/203257-87-8x500.png)
203257-87-8 structure
Product Name:(6aS)-9-acetyl-6a-methyl-3-[(1E)-prop-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione
CAS No:203257-87-8
MF:C17H14O5
MW:298.290065288544
CID:1392255
PubChem ID:6442235
Update Time:2025-04-20
(6aS)-9-acetyl-6a-methyl-3-[(1E)-prop-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione Chemical and Physical Properties
Names and Identifiers
-
- (6aS)-9-acetyl-6a-methyl-3-[(1E)-prop-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione
- trichoflectin
- (6aS)-9-acetyl-6a-methyl-3-[(E)-prop-1-enyl]furo[2,3-h]isochromene-6,8-dione
- SCHEMBL18270615
- CHEMBL476920
- 203257-87-8
- (-)-Trichoflectin
-
- Inchi： 1S/C17H14O5/c1-4-5-11-6-10-7-13(19)17(3)15(12(10)8-21-11)14(9(2)18)16(20)22-17/h4-8H,1-3H3/b5-4+/t17-/m1/s1
- InChI Key： QBKJTHVGHONHOD-LAQIPUCWSA-N
- SMILES： O1C(C(C(C)=O)=C2C3=COC(/C=C/C)=CC3=CC([C@@]12C)=O)=O
Computed Properties
- Exact Mass: 298.08412
- Monoisotopic Mass: 298.084124
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 773
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.7
- XLogP3: 0.9
Experimental Properties
- Density: 1.34
- Boiling Point: 584.8°C at 760 mmHg
- Flash Point: 261.9°C
- Refractive Index: 1.609
- PSA: 69.67
- LogP: 2.07070
(6aS)-9-acetyl-6a-methyl-3-[(1E)-prop-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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