AL-1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H22O5
Molecular Weight	330.375
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12O[C@@]1([H])[C@@]3(CC[C@@H](CO3)OC(=O)CC(C)C)O\C2=C\C#CC#CC

InChI

InChIKey=IZOBIZVXEKNCNN-ZNQIEUMMSA-N

InChI=1S/C19H22O5/c1-4-5-6-7-8-15-17-18(23-17)19(24-15)10-9-14(12-21-19)22-16(20)11-13(2)3/h8,13-14,17-18H,9-12H2,1-3H3/b15-8+/t14-,17+,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H22O5
Molecular Weight	330.375
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:59:40 GMT 2023` Edited by `admin` on `Sat Dec 16 07:59:40 GMT 2023`
Record UNII	8C0R90B364
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AL-1

Common Name

English

BUTANOIC ACID, 3-METHYL-, (1R,2R,4E,5S,5'S)-4-(2,4-HEXADIYN-1-YLIDENE)TETRAHYDROSPIRO(3,6-DIOXABICYCLO(3.1.0)HEXANE-2,2'-(2H)PYRAN)-5'-YL ESTER

Systematic Name

English

PYRAN)-5'-YL ESTERBUTANOIC ACID, 3-METHYL-, 4-(2,4-HEXADIYNYLIDENE)TETRAHYDROSPIRO(3,6-DIOXABICYCLO(3.1.0)HEXANE-2,2'-(2H)PYRAN)-5'-YL ESTER, (1R,2R,4E,5S,5'S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

8C0R90B364

Created by admin on Sat Dec 16 07:59:40 GMT 2023 , Edited by admin on Sat Dec 16 07:59:40 GMT 2023

PRIMARY

CAS

126455-04-7

Created by admin on Sat Dec 16 07:59:40 GMT 2023 , Edited by admin on Sat Dec 16 07:59:40 GMT 2023

PRIMARY

PUBCHEM

72941671

Created by admin on Sat Dec 16 07:59:40 GMT 2023 , Edited by admin on Sat Dec 16 07:59:40 GMT 2023

PRIMARY

Related Record Type Details


					8C0R90B364

AL-1

ACTIVE MOIETY