NT-1 TOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26O8
Molecular Weight	382.4049
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(CO)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]24CO4)OC(C)=O

InChI

InChIKey=UROCTWOJYLMRHO-WVJYZQHISA-N

InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H26O8
Molecular Weight	382.4049
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 06:43:24 GMT 2023` Edited by `admin` on `Sat Dec 16 06:43:24 GMT 2023`
Record UNII	GXO6938TH1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NT-1 TOXIN

Common Name

English

ISONEOSOLANIOL

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

163078

Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023

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FDA UNII

GXO6938TH1

Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023

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EPA CompTox

DTXSID30983756

Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023

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CAS

65180-29-2

Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023

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