3,15-DIACETYLDEOXYNIVALENOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24O8
Molecular Weight	380.3891
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,15-DIACETYLDEOXYNIVALENOL

Structure Search

SMILES

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

InChI

InChIKey=RANGFOQREJPKIH-CHPZEFIJSA-N

InChI=1S/C19H24O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-13,15-16,23H,6-8H2,1-4H3/t12-,13-,15-,16-,17-,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H24O8
Molecular Weight	380.3891
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:56:02 GMT 2023` Edited by `admin` on `Sat Dec 16 11:56:02 GMT 2023`
Record UNII	S7W3YU5F6G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,15-DIACETYLDEOXYNIVALENOL

Common Name

English

EN-139547

Code

English

3.ALPHA.,15-DIACETOXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE

Common Name

English

(3.ALPHA.,7.ALPHA.)-3,15-BIS(ACETYLOXY)-12,13-EPOXY-7-HYDROXYTRICHOTHEC-9-EN-8-ONE

Systematic Name

English

TRICHOTHEC-9-EN-8-ONE, 3,15-BIS(ACETYLOXY)-12,13-EPOXY-7-HYDROXY-, (3.ALPHA.,7.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

14108095

Created by admin on Sat Dec 16 11:56:02 GMT 2023 , Edited by admin on Sat Dec 16 11:56:02 GMT 2023

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CAS

56676-60-9

Created by admin on Sat Dec 16 11:56:02 GMT 2023 , Edited by admin on Sat Dec 16 11:56:02 GMT 2023

PRIMARY

EPA CompTox

DTXSID70972124

Created by admin on Sat Dec 16 11:56:02 GMT 2023 , Edited by admin on Sat Dec 16 11:56:02 GMT 2023

PRIMARY

FDA UNII

S7W3YU5F6G

Created by admin on Sat Dec 16 11:56:02 GMT 2023 , Edited by admin on Sat Dec 16 11:56:02 GMT 2023

PRIMARY