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HT-2 Toxin (>85%)

CAT: 0572-TRC-H671800-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H671800-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26934-87-2
Synonyms
Trichothec-9-ene-3α,4β,8α,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate (8CI); Isovaleric acid, 8-ester with 12,13-epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 15-acetate (8CI); Spiro[2,5-methano-1-benzoxepin-10,2'-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.; 3,4-Dihydroxy-15-acetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-Δ9-trichothecene; HT 2; HT 2 Toxin; HT 2 mycotoxin; Mycotoxin HT 2; NSC 278571; Toxin HT 2
Hazard Statement
Fatal if swallowed; UN number: UN3462; Packing Group: I
Smiles
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](OC3[C@H](O)[C@@H](O)C2(C)C34CO4)C=C1C
Molecular Formula
C22 H32 O8
Molecular Weight
424.48
InChI
InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19?,20?,21+,22?/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

HT 2 toxin

HT-2 toxin is a trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. It has a role as an apoptosis inducer and a fungal metabolite. It is an organic heterotetracyclic compound, an acetate ester and a trichothecene.

CAS Number26934-87-2
PubChem CID10093830
IUPAC Name[(1S,2R,4S,7R,9R,10R,11S,12S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Molecular FormulaC22H32O8
Molecular Weight424.5
XLogP0.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity777
SMILES
CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C
InChI
InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1
InChIKey
PNKLMTPXERFKEN-MLXHEQMXSA-N
Chemical Structure
2D Structure
2D structure of HT 2 toxin
CAS: 26934-87-2
CID: 10093830
Formula: C22H32O8
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass424.20971797
Monoisotopic Mass424.20971797
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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