Cas no 114753-65-0 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-)
114753-65-0 structure
Product Name:Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-
CAS No:114753-65-0
MF:C24H34O9
MW:466.521368503571
CID:184878
PubChem ID:198704
Update Time:2025-04-19
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3a,4b,8a)- Chemical and Physical Properties
Names and Identifiers
-
- Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-
- Iso-T-2 toxin
- 3,4-Bis(acetyloxy)-15-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
- DTXSID00921488
- Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3-alpha,4-beta,8-alpha)-
- 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 3,4-diacetate 8-isovalerate
- 114753-65-0
-
- Inchi： 1S/C24H34O9/c1-12(2)7-18(28)32-16-9-23(10-25)17(8-13(16)3)33-21-19(30-14(4)26)20(31-15(5)27)22(23,6)24(21)11-29-24/h8,12,16-17,19-21,25H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1
- InChI Key： ZTSXGHQXQTWINZ-GOLADLMOSA-N
- SMILES： O1CC21[C@H]1[C@@H]([C@H]([C@]2(C)[C@@]2(CO)C[C@@H](C(C)=C[C@H]2O1)OC(CC(C)C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 466.22032
- Monoisotopic Mass: 466.22
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 33
- Rotatable Bond Count: 9
- Complexity: 881
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 121?2
Experimental Properties
- Density: 1.28
- Boiling Point: 538.2°C at 760 mmHg
- Flash Point: 174.3°C
- Refractive Index: 1.546
- PSA: 120.89
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3a,4b,8a)- Related Literature
-
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
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
114753-65-0 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3a,4b,8a)-) Related Products
- 21259-20-1(T-2 Toxin)
- 2623-22-5(15-Acetoxyscirpenol)
- 36519-25-2(Neosolaniol Standard)
- 26934-87-2(HT-2 Toxin)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
Recommended suppliers
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
