TRICHOTHECOLONE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22O5
Molecular Weight	306.3536
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](OC(C)=O)[C@@](C)([C@]13CO3)[C@@]4(C)CC(=O)C(C)=C[C@@]4([H])O2

InChI

InChIKey=UGISZOXYFHGCSR-IKIFYQGPSA-N

InChI=1S/C17H22O5/c1-9-5-12-15(3,7-11(9)19)16(4)13(21-10(2)18)6-14(22-12)17(16)8-20-17/h5,12-14H,6-8H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H22O5
Molecular Weight	306.3536
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:59 GMT 2023` Edited by `admin` on `Sat Dec 16 08:06:59 GMT 2023`
Record UNII	YY7B0P0407
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRICHOTHECOLONE ACETATE

Common Name

English

(4.BETA.)-4-(ACETYLOXY)-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE

Common Name

English

TRICHOTHEC-9-EN-8-ONE, 4-(ACETYLOXY)-12,13-EPOXY-, (4.BETA.)-

Common Name

English

SPIRO(2,5-METHANO-1-BENZOXEPIN-10,2'-OXIRAN)-7(6H)-ONE, 2.BETA.,3,4,5,5A,9A.ALPHA.-HEXAHYDRO-4.BETA.-HYDROXY-5.BETA.,5A.ALPHA.,8-TRIMETHYL-, ACETATE

Common Name

English

4-O-ACETYLTRICHOTHECOLONE

Common Name

English

Code System Code Type Description

FDA UNII

YY7B0P0407

Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023

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EPA CompTox

DTXSID70963673

Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023

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PUBCHEM

20841657

Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023

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CAS

4682-54-6

Created by admin on Sat Dec 16 08:06:59 GMT 2023 , Edited by admin on Sat Dec 16 08:06:59 GMT 2023

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