S-NEOPETASIN

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

InChIKey=OHANKWLYFDFHOJ-OXRZYUPZSA-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/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15+,17+,19+/m0/s1

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

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:29:05 GMT 2025` Edited by `admin` on `Mon Mar 31 23:29:05 GMT 2025`
Record UNII	7U7F5OM65D
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

S-NEOPETASIN

Common Name

English

NEO-S-PETASIN

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

7U7F5OM65D

Created by admin on Mon Mar 31 23:29:05 GMT 2025 , Edited by admin on Mon Mar 31 23:29:05 GMT 2025

PRIMARY

CAS

87984-58-5

Created by admin on Mon Mar 31 23:29:05 GMT 2025 , Edited by admin on Mon Mar 31 23:29:05 GMT 2025

PRIMARY

PUBCHEM

91800184

Created by admin on Mon Mar 31 23:29:05 GMT 2025 , Edited by admin on Mon Mar 31 23:29:05 GMT 2025

PRIMARY

Related Record Type Details


					97S2809V5R

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Petasin chemovar-Eremophilane