HT-2 TOXIN 4-PROPANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O9
Molecular Weight	480.5479
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](OC(=O)CC)[C@H]1O)[C@]24CO4)OC(=O)CC(C)C

InChI

InChIKey=HHSVPRXLNYVHLR-GTTPHZHMSA-N

InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3/t16-,17+,20+,21+,22+,23+,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O9
Molecular Weight	480.5479
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 12:09:19 GMT 2023` Edited by `admin` on `Sat Dec 16 12:09:19 GMT 2023`
Record UNII	P6FZ56843Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HT-2 TOXIN 4-PROPANOATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

104903-80-2

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

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PUBCHEM

122201229

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

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FDA UNII

P6FZ56843Z

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

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EPA CompTox

DTXSID001110064

Created by admin on Sat Dec 16 12:09:19 GMT 2023 , Edited by admin on Sat Dec 16 12:09:19 GMT 2023

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