EREMOFORTIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22O6
Molecular Weight	322.353
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)CO

InChI

InChIKey=AVFUXCSVVLQAGL-VIEAGMIOSA-N

InChI=1S/C17H22O6/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/h5,8,12-14,18H,6-7H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H22O6
Molecular Weight	322.353
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 09:44:41 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:41 GMT 2023`
Record UNII	23U460VC7N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EREMOFORTIN C

Common Name

English

SPIRO(NAPHTH(1,2-B)OXIRENE-5(6H),2'-OXIRAN)-6-ONE, 2-(ACETYLOXY)-1A,2,3,3A,4,7B-HEXAHYDRO-3'-(HYDROXYMETHYL)-3,3',3A-TRIMETHYL-, (1AR-(1A.ALPHA.,2.BETA.,3.BETA.,3A.BETA.,5.BETA.(R*),7B.ALPHA.))-

Systematic Name

English

SPIRO(NAPHTH(1,2-B)OXIRENE-5(6H),2'-OXIRAN)-6-ONE, 2-(ACETYLOXY)-1A,2,3,3A,4,7B-HEXAHYDRO-3'-(HYDROXYMETHYL)-3,3',3A-TRIMETHYL-, (1AR,2R,2'R,3R,3'R,3AR,7BS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21119861

Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023

PRIMARY

FDA UNII

23U460VC7N

Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023

PRIMARY

EPA CompTox

DTXSID30977938

Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023

PRIMARY

CAS

62375-74-0

Created by admin on Sat Dec 16 09:44:41 GMT 2023 , Edited by admin on Sat Dec 16 09:44:41 GMT 2023

PRIMARY

Related Record Type Details


					7ORP6R724L

PENICILLIUM ROQUEFORTI

PARENT -> METABOLITE

Amount: