3'-HYDROXY HT-2 TOXIN 3-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O10
Molecular Weight	482.5208
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3'-HYDROXY HT-2 TOXIN 3-ACETATE

Structure Search

SMILES

CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)(C)O)C(C)=C[C@H]1O[C@@H]3[C@H](OC(C)=O)[C@@H](O)[C@@]2(C)[C@]34CO4

InChI

InChIKey=FOHUQNSVOKPYSD-GGTUAJKXSA-N

InChI=1S/C24H34O10/c1-12-7-16-23(10-30-13(2)25,8-15(12)33-17(27)9-21(4,5)29)22(6)19(28)18(32-14(3)26)20(34-16)24(22)11-31-24/h7,15-16,18-20,28-29H,8-11H2,1-6H3/t15-,16+,18+,19+,20+,22+,23+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O10
Molecular Weight	482.5208
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 `Mon Mar 31 21:50:47 GMT 2025` Edited by `admin` on `Mon Mar 31 21:50:47 GMT 2025`
Record UNII	X1TCS0QD64
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISO-TC-1

Preferred Name

English

3'-HYDROXY HT-2 TOXIN 3-ACETATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

X1TCS0QD64

Created by admin on Mon Mar 31 21:50:47 GMT 2025 , Edited by admin on Mon Mar 31 21:50:47 GMT 2025

PRIMARY

EPA CompTox

DTXSID70905730

Created by admin on Mon Mar 31 21:50:47 GMT 2025 , Edited by admin on Mon Mar 31 21:50:47 GMT 2025

PRIMARY

PUBCHEM

121596641

Created by admin on Mon Mar 31 21:50:47 GMT 2025 , Edited by admin on Mon Mar 31 21:50:47 GMT 2025

PRIMARY

CAS

100762-36-5

Created by admin on Mon Mar 31 21:50:47 GMT 2025 , Edited by admin on Mon Mar 31 21:50:47 GMT 2025

PRIMARY

Related Record Type Details


					XWD55652JC

ISO-T-2 TOXIN

PARENT -> METABOLITE

Comments:

in cow

Qualification:

URINE

Amount: