Cas no 116163-74-7 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3a,4b,8a)- (9CI))
116163-74-7 structure
Product Name:Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3a,4b,8a)- (9CI)
CAS No:116163-74-7
MF:C24H34O9
MW:466.521368503571
CID:224743
PubChem ID:3081101
Update Time:2025-04-19
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3a,4b,8a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3a,4b,8a)- (9CI)
- 8-n-Pentanoylneosolaniol
- 8-pentanoylneosolaniol
- (3beta,4alpha,8alpha,12xi)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl pentanoate
- Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3alpha,4beta,8alpha)-
- DTXSID60921944
- CHEBI:175666
- [(1S,2R,4S,7R,9R,10R,11S)-11-Acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] pentanoate
- 4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl pentanoate
- 116163-74-7
-
- Inchi： 1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1
- InChI Key： QXHICULSTMOREA-GOLADLMOSA-N
- SMILES： O1CC21[C@H]1[C@@H]([C@H]([C@]2(C)[C@@]2(COC(C)=O)C[C@@H](C(C)=C[C@H]2O1)OC(CCCC)=O)OC(C)=O)O
Computed Properties
- Exact Mass: 466.22
- 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: 10
- Complexity: 868
- 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: 1
- Topological Polar Surface Area: 121?2
Experimental Properties
- Density: 1.28
- Boiling Point: 549.3°Cat760mmHg
- Flash Point: 178.8°C
- Refractive Index: 1.547
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3a,4b,8a)- (9CI) Related Literature
-
1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Julia M. Yeomans Soft Matter, 2010,6, 703-704
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
116163-74-7 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3a,4b,8a)- (9CI)) Related Products
- 21259-20-1(T-2 Toxin)
- 2623-22-5(15-Acetoxyscirpenol)
- 36519-25-2(Neosolaniol Standard)
- 26934-87-2(HT-2 Toxin)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
