3-DESOXYNEOPETASOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22O
Molecular Weight	218.3346
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CCCC2=CC(=O)[C@H](C[C@]12C)C(C)=C

InChI

InChIKey=DIZRSLUNVNGBPA-NJZAAPMLSA-N

InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22O
Molecular Weight	218.3346
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:26:52 GMT 2025` Edited by `admin` on `Mon Mar 31 23:26:52 GMT 2025`
Record UNII	QF7JE3M69D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-DESOXYNEOPETASOL

Common Name

English

2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4A,5-DIMETHYL-3-(1-METHYLETHENYL)-, (3R-(3.ALPHA.,4A.ALPHA.,5.ALPHA.))-

Preferred Name

English

ALLOEREMOPHILONE

Common Name

English

2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4A,5-DIMETHYL-3-(1-METHYLETHENYL)-, (3R,4AR,5S)-

Systematic Name

English

NEOPETASAN

Common Name

English

EREMOPHILA-9,11-DIEN-8-ONE

Common Name

English

(3R,4AR,5S)-4A,5-DIMETHYL-3-PROP-1-EN-2-YL-3,4,5,6,7,8-HEXAHYDRONAPHTHALEN-2-ONE

Systematic Name

English

NEOPETASANE

Common Name

English

Code System Code Type Description

PUBCHEM

5320106

Created by admin on Mon Mar 31 23:26:52 GMT 2025 , Edited by admin on Mon Mar 31 23:26:52 GMT 2025

PRIMARY

CAS

13902-42-6

Created by admin on Mon Mar 31 23:26:52 GMT 2025 , Edited by admin on Mon Mar 31 23:26:52 GMT 2025

PRIMARY

FDA UNII

QF7JE3M69D

Created by admin on Mon Mar 31 23:26:52 GMT 2025 , Edited by admin on Mon Mar 31 23:26:52 GMT 2025

PRIMARY

Related Record Type Details


					97S2809V5R

PETASITES HYBRIDUS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Petasin chemovar-Eremophilane

Amount: