PR-TOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O6
Molecular Weight	320.3371
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@@H](OC(C)=O)[C@H]2O[C@H]2C3=CC(=O)[C@]4(C[C@]13C)O[C@]4(C)C=O

InChI

InChIKey=GSPFUBNBRPVALJ-VIEAGMIOSA-N

InChI=1S/C17H20O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,7-8,12-14H,6H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O6
Molecular Weight	320.3371
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 08:51:41 UTC 2023` Edited by `admin` on `Sat Dec 16 08:51:41 UTC 2023`
Record UNII	F9W0X88AFM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PR-TOXIN

Common Name

English

SPIRO(NAPHTHALENE-2(1H),2'-OXIRANE)-3'-CARBOXALDEHYDE, 3,5,6,7,8,8A-HEXAHYDRO-7-ACETOXY-5,6-EPOXY-3',8,8A- TRIMETHYL-3-OXO-

Systematic Name

English

PR-TOXIN [HSDB]

Common Name

English

SPIRO(NAPHTH(1,2-B)OXIRENE-5(1AH),2'-OXIRANE)-3'-CARBOXALDEHYDE, 2-(ACETYLOXY)-2,3,3A,4,6,7B-HEXAHYDRO-3,3',3A-TRIMETHYL-6-OXO-, (1AR-(1A.ALPHA.,2.BETA.,3.BETA.,3A.BETA.,5.BETA.(S*),7B.ALPHA.))-

Systematic Name

English

TOXIN (PENICILLIUM ROQUEFORTII)

Common Name

English

PR TOXIN

Common Name

English

SPIRO(NAPHTH(1,2-B)OXIRENE-5(1AH),2'-OXIRANE)-3'- CARBOXALDEHYDE, 2-(ACETYLOXY-2,3,3A,4,6,7B-HEXAHYDRO- 3,3',3A-TRIMETHYL-6-OXO-, (1AR,2R,2'R,3R,3'S,3AR,7BS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

440907