PTERIXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O7
Molecular Weight	386.3952
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12

InChI

InChIKey=LYUZYPKZQDYMEE-YRCPKEQFSA-N

InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O7
Molecular Weight	386.3952
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:54:57 GMT 2025` Edited by `admin` on `Wed Apr 02 10:54:57 GMT 2025`
Record UNII	C1G8A9744Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PTERIXIN

Common Name

English

(+)-PTERYXIN

Preferred Name

English

2-BUTENOIC ACID, 2-METHYL-, (9R,10R)-9-(ACETYLOXY)-9,10-DIHYDRO-8,8-DIMETHYL-2-OXO-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-10-YL ESTER, (2Z)-

Systematic Name

English

PTERYXINE

Common Name

English

(+)-(3'R,4'R)-3'-ACETYL-4'-ANGELOYLKHELLACTONE

Systematic Name

English

CROTONIC ACID, 2-METHYL-, 10-ESTER WITH 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE ACETATE, (Z)-

Systematic Name

English

Code System Code Type Description

CAS

13161-75-6

Created by admin on Wed Apr 02 10:54:57 GMT 2025 , Edited by admin on Wed Apr 02 10:54:57 GMT 2025

PRIMARY

PUBCHEM

5281425

Created by admin on Wed Apr 02 10:54:57 GMT 2025 , Edited by admin on Wed Apr 02 10:54:57 GMT 2025

PRIMARY

FDA UNII

C1G8A9744Z

Created by admin on Wed Apr 02 10:54:57 GMT 2025 , Edited by admin on Wed Apr 02 10:54:57 GMT 2025

PRIMARY

CAS

17944-23-9

Created by admin on Wed Apr 02 10:54:57 GMT 2025 , Edited by admin on Wed Apr 02 10:54:57 GMT 2025

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