PETASIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O3
Molecular Weight	316.4345
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PETASIN

Structure Search

SMILES

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

InChI

InChIKey=ISTBXSFGFOYLTM-NZEDGPFZSA-N

InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O3
Molecular Weight	316.4345
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 `Mon Mar 31 21:53:52 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:52 GMT 2025`
Record UNII	9Z0Q32J0QC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PETASIN

Common Name

English

PETAFORCE

Preferred Name

English

(+)-PETASIN

Common Name

English

CROTONIC ACID, 2-METHYL-, ESTER WITH 3.ALPHA.-HYDROXY-EREMOPHILA-9,11-DIEN-8-ONE, (Z)-

Systematic Name

English

O-ANGELOYLSENCATHENONE

Common Name

English

2-BUTENOIC ACID, 2-METHYL-, (1R,2R,7S,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

PETASINE

Common Name

English

Classification Tree Code System Code

DSLD

2678 (Number of products:9)

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

Code System Code Type Description

CHEBI

8030

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

PRIMARY

CAS

26577-85-5

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

PRIMARY

WIKIPEDIA

Petasin

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

PRIMARY

EPA CompTox

DTXSID201030056

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

PRIMARY

PUBCHEM

5281526

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

PRIMARY

FDA UNII

9Z0Q32J0QC

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

PRIMARY

Related Record Type Details


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Amount:


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PETASITES HYBRIDUS ROOT

PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT

Comments:

Petasin chemovar-Eremophilane