Cas no 6200-90-4 ((3beta,12xi)-15-hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate)
6200-90-4 structure
Product Name:(3beta,12xi)-15-hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate
CAS No:6200-90-4
MF:C19H26O7
MW:366.405546665192
CID:955967
PubChem ID:323378
Update Time:2025-04-19
(3beta,12xi)-15-hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate Chemical and Physical Properties
Names and Identifiers
-
- (3beta,12xi)-15-hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate
- ANGUIDINE DERIV (3,4-DIACETOXYSCIRPNE-15-OL)
- UNII-13875465Y1
- NSC 283150
- 13875465Y1
- SCIRP-9-ENE-3.ALPHA.,4.BETA.,15-TRIOL, 3,4-DIACETATE
- 6200-90-4
- Trichothec-9-ene-3,4,15-triol, 12,13-epoxy, 3,4-diacetate
- Q27896730
- TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, 3,4-DIACETATE, (3.ALPHA.,4.BETA.)-
- NSC-283150
- 3,4-Diacetoxyscirpenol
- 3,4-Diacetoxyscirpen-15-ol
- 15-Hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate
- NSC283150
- DTXSID60977542
-
- Inchi： 1S/C19H26O7/c1-10-5-6-18(8-20)13(7-10)26-16-14(24-11(2)21)15(25-12(3)22)17(18,4)19(16)9-23-19/h7,13-16,20H,5-6,8-9H2,1-4H3
- InChI Key： INNGXXRVGHCNRI-UHFFFAOYSA-N
- SMILES： O1CC21C1C(C(C2(C)C2(CO)CCC(C)=CC2O1)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 366.16785316g/mol
- Monoisotopic Mass: 366.16785316g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 687
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 94.6?2
(3beta,12xi)-15-hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
6200-90-4 ((3beta,12xi)-15-hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate) 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)
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