Cas no 74833-39-9 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 15-acetate, (3a,4b,8a)-)
74833-39-9 structure
Product Name:Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 15-acetate, (3a,4b,8a)-
CAS No:74833-39-9
MF:C17H24O7
MW:340.368266105652
CID:565307
PubChem ID:156312
Update Time:2025-04-19
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 15-acetate, (3a,4b,8a)- Chemical and Physical Properties
Names and Identifiers
-
- Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 15-acetate, (3a,4b,8a)-
- 4-deacetylneosolaniol
- NCGC00380760-01_C17H24O7_(3beta,4alpha,8alpha)-3,4,8-Trihydroxy-12,13-epoxytrichothec-9-en-15-yl acetate
- CHEBI:169236
- TMR 1
- 15-Acetyl-3-alpha,4-beta,8-alpha-trihydroxy-12,13-epoxytrichothec-9-ene
- 4-DANS
- CHEMBL486002
- NS00097460
- [(1S,2R,4S,7R,9R,10R,11S,12S)-4,10,11-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
- Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate, (3-alpha,4-beta,8-alpha)-
- 4-Desacetylneosolaniol
- 74833-39-9
- NCGC00380760-01
-
- Inchi： 1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1
- InChI Key： FCLYQYOJLQDQNA-BNWDXEGFSA-N
- SMILES： O1C[C@]21[C@H]1[C@@H]([C@H]([C@]2(C)[C@@]2(COC(C)=O)C[C@@H](C(C)=C[C@H]2O1)O)O)O
Computed Properties
- Exact Mass: 340.152
- Monoisotopic Mass: 340.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 618
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 109?2
Experimental Properties
- Density: 1.42
- Boiling Point: 515.1°C at 760 mmHg
- Flash Point: 186.8°C
- Refractive Index: 1.604
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 15-acetate, (3a,4b,8a)- Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
74833-39-9 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 15-acetate, (3a,4b,8a)-) Related Products
- 21259-20-1(T-2 Toxin)
- 2623-22-5(15-Acetoxyscirpenol)
- 30244-37-2((2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate)
- 36519-25-2(Neosolaniol Standard)
- 142203-64-3(Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)-)
- 26934-87-2(HT-2 Toxin)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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