Cas no 2531-11-5 (Trichothec-9-ene-3,4,15-triol,12,13-epoxy-, 4-acetate, (3a,4b)-)
2531-11-5 structure
Product Name:Trichothec-9-ene-3,4,15-triol,12,13-epoxy-, 4-acetate, (3a,4b)-
CAS No:2531-11-5
MF:C17H24O6
MW:324.368865966797
CID:272734
PubChem ID:114922
Update Time:2025-04-19
Trichothec-9-ene-3,4,15-triol,12,13-epoxy-, 4-acetate, (3a,4b)- Chemical and Physical Properties
Names and Identifiers
-
- Trichothec-9-ene-3,4,15-triol,12,13-epoxy-, 4-acetate, (3a,4b)-
- Trichothec-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, 4-acetate
- 4-Acetoxyscirpenol
- [(1S,2R,7R,9R,10R,11S,12S)-10-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
- 2531-11-5
- [(2R,7R,9R,10R,11S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
- Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,4,15-triol deriv.
- DTXSID30938509
- Scirp-9-ene-3alpha,4beta,15-triol, 4-acetate
- 3,15-dihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
- Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-
- 4-O-Acetoxyscirpenol
-
- Inchi： 1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15?,16-,17?/m1/s1
- InChI Key： YIFMFXZUYBFVFL-DIRMQTSCSA-N
- SMILES： O1CC21[C@H]1[C@@H]([C@H](C2(C)[C@@]2(CO)CCC(C)=C[C@H]2O1)OC(C)=O)O
Computed Properties
- Exact Mass: 324.15728848g/mol
- Monoisotopic Mass: 324.15728848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 588
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 88.5?2
Trichothec-9-ene-3,4,15-triol,12,13-epoxy-, 4-acetate, (3a,4b)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
2531-11-5 (Trichothec-9-ene-3,4,15-triol,12,13-epoxy-, 4-acetate, (3a,4b)-) 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)
- 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)
- 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)
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