S-ISOPETASIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26O3S
Molecular Weight	334.473
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS\C=C/C(=O)O[C@@H]1CCC2=CC(=O)C(C[C@]2(C)[C@H]1C)=C(C)C

InChI

InChIKey=YGBHBIXCSYCCOR-XAPFYCCESA-N

InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,17H,6-7,11H2,1-5H3/b9-8-/t13-,17+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H26O3S
Molecular Weight	334.473
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:04:40 GMT 2025` Edited by `admin` on `Mon Mar 31 23:04:40 GMT 2025`
Record UNII	UES7BS5JMK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-ISOPETASIN

Common Name

English

2-PROPENOIC ACID, 3-(METHYLTHIO)-, 1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHYLIDENE)-6-OXO-2-NAPHTHALENYL ESTER, (1R-(1.ALPHA.,2.BETA.(Z),8A.ALPHA.))-

Preferred Name

English

(1R,2R,8AR)-1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHYLIDENE)-6-OXO-2-NAPHTHALENYL (2Z)-3-(METHYLTHIO)-2-PROPENOATE

Systematic Name

English

2-PROPENOIC ACID, 3-(METHYLTHIO)-, (1R,2R,8AR)-1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHYLIDENE)-6-OXO-2-NAPHTHALENYL ESTER, (2Z)-

Systematic Name

English

Code System Code Type Description

FDA UNII

UES7BS5JMK

Created by admin on Mon Mar 31 23:04:40 GMT 2025 , Edited by admin on Mon Mar 31 23:04:40 GMT 2025

PRIMARY

PUBCHEM

10088272

Created by admin on Mon Mar 31 23:04:40 GMT 2025 , Edited by admin on Mon Mar 31 23:04:40 GMT 2025

PRIMARY

CAS

38643-44-6

Created by admin on Mon Mar 31 23:04:40 GMT 2025 , Edited by admin on Mon Mar 31 23:04:40 GMT 2025

PRIMARY

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