Cas no 135247-96-0 (Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester, rel-(+)-)
![Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester, rel-(+)- structure](https://ossimg.kuujia.com/scimg/135500/135247-96-0x500.png)
135247-96-0 structure
Product Name:Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester, rel-(+)-
CAS No:135247-96-0
MF:C23H28O7
MW:416.464227676392
CID:189281
PubChem ID:131866
Update Time:2025-04-19
Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester, rel-(+)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester, rel-(+)-
- [(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
- armillaritin
- Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahyd...
- Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trime
- (2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
- Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, (2alpha,2abeta,4aalpha,7aalpha,7bbeta)-(+)-
- CHEBI:175202
- 135247-96-0
- [(2R,2aS,4aR,7aR,7bR)-3-ormyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
- DTXSID40928916
- 3-Formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
- SCHEMBL12242926
-
- Inchi： 1S/C23H28O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,10,16-17,25-26,28-29H,8-9,11H2,1-4H3/t16-,17-,21-,22+,23+/m1/s1
- InChI Key： CXDPJDYGYSRNDR-MTJRIOAFSA-N
- SMILES： O[C@]12C(C=O)=C[C@@]3(CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(C1C(=CC(=CC=1C)O)O)=O)O
Computed Properties
- Exact Mass: 416.18354
- Monoisotopic Mass: 416.183503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 790
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 124
- XLogP3: 3.1
Experimental Properties
- Density: 1.4
- Boiling Point: 617.9°Cat760mmHg
- Flash Point: 213°C
- Refractive Index: 1.646
- PSA: 124.29
Benzoic acid,2,4-dihydroxy-6-methyl-,(2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester, rel-(+)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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