Cas no 6121-60-4 ((4alpha,11xi)-4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate)
6121-60-4 structure
Product Name:(4alpha,11xi)-4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate
CAS No:6121-60-4
MF:C19H26O7
MW:366.405546665192
CID:954153
PubChem ID:91809628
Update Time:2025-04-19
(4alpha,11xi)-4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate Chemical and Physical Properties
Names and Identifiers
-
- (4alpha,11xi)-4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate
- Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3,15-diacetate, (3.α.,4.β.)-
- Anguidine deriv 3,15-diacetoxyscirpene-4-ol
- IAQ013A6PR
- 6121-60-4
- Scirpenol 3,15-diacetate
- (3alpha,4beta)-3,15-Diacetoxyscirpene-4-ol
- NSC 301462
- UNII-IAQ013A6PR
- NSC-301462
- Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3,15-diacetate, (3alpha,4beta)-
-
- Inchi： 1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(25-12(3)21)15(22)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1
- InChI Key： ZPPOOYJPNZHNBT-NMAPUUFXSA-N
- SMILES： O1C[C@]21[C@H]1[C@@H]([C@H]([C@]2(C)[C@@]2(COC(C)=O)CCC(C)=C[C@H]2O1)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: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 94.6?2
(4alpha,11xi)-4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
6121-60-4 ((4alpha,11xi)-4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-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)
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