Cas no 2074-56-8 (3,8,9-triacetoxycoumestan)
3,8,9-triacetoxycoumestan structure
Product Name:3,8,9-triacetoxycoumestan
CAS No:2074-56-8
MF:C21H14O9
MW:410.330466747284
CID:2070597
PubChem ID:1040837
Update Time:2025-04-21
3,8,9-triacetoxycoumestan Chemical and Physical Properties
Names and Identifiers
-
- 3,8,9-triacetoxycoumestan
- 7,11,12-Triacetoxy-cumestan
- 7,11,12-Triacetoxycoumestan
- 7,11,12-Triacetoxycoumestran
- Tri-Ac-3,8,9-Trihydroxycoumestan
- 5,14-bis(acetyloxy)-9-oxo-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate
- (8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate
- (8,9-diacetyloxy-6-oxo-[1]benzouro[3,2-c]chromen-3-yl) acetate
- AG-205/36410030
- CHEBI:196395
- 2074-56-8
- Oprea1_845231
- Stimol 410
- BIM-0025171.P001
- 6-oxo-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triyl triacetate
- AKOS000583028
- CBMicro_025267
- STK751971
- DTXSID101186343
- 3,8,9-Tris(acetyloxy)-6H-benzofuro[3,2-c][1]benzopyran-6-one
- 3,8-bis(acetyloxy)-6-oxo-6H-[1]benzofuro[3,2-c]chromen-9-yl acetate
- HMS1607I05
- CCG-12245
- Oprea1_144571
-
- Inchi： 1S/C21H14O9/c1-9(22)26-12-4-5-13-15(6-12)30-21(25)19-14-7-17(27-10(2)23)18(28-11(3)24)8-16(14)29-20(13)19/h4-8H,1-3H3
- InChI Key： XZTLRBKHOHDMTG-UHFFFAOYSA-N
- SMILES： CC(OC1C=C2C(C3=C(C(O2)=O)C2C(=CC(=C(C=2)OC(=O)C)OC(=O)C)O3)=CC=1)=O
Computed Properties
- Exact Mass: 410.06378202Da
- Monoisotopic Mass: 410.06378202Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 734
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 118?2
3,8,9-triacetoxycoumestan Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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