3'-HYDROXY HT-2 TOXIN

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H32O9
Molecular Weight	440.4841
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)[C@]24CO4)OC(=O)CC(C)(C)O

InChI

InChIKey=OJBCMLLFVXXDGS-QDSVCGCGSA-N

InChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3/t13-,14+,16+,17+,18+,20+,21+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H32O9
Molecular Weight	440.4841
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:33:24 GMT 2023` Edited by `admin` on `Sat Dec 16 12:33:24 GMT 2023`
Record UNII	NAE258M59Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-HYDROXY HT-2 TOXIN

Common Name

English

TC3 TOXIN

Common Name

English

TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 15-ACETATE 8-(3-HYDROXY-3-METHYLBUTANOATE), (3.ALPHA.,4.BETA.,8.ALPHA.)-

Systematic Name

English

3'-HYDROXY-TOXIN HT-2

Common Name

English

TC 3

Common Name

English

Code System Code Type Description

CAS

78368-54-4

Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023

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PUBCHEM

44559327

Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023

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EPA CompTox

DTXSID80999701

Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023

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FDA UNII

NAE258M59Q

Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023

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