NEOPETASOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22O2
Molecular Weight	234.334
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@H](O)CCC2=CC(=O)[C@H](C[C@]12C)C(C)=C

InChI

InChIKey=AJFPOVBARCSOLH-XTWPYSKKSA-N

InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,12-13,16H,1,5-6,8H2,2-4H3/t10-,12+,13+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22O2
Molecular Weight	234.334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:55 UTC 2023` Edited by `admin` on `Sat Dec 16 10:47:55 UTC 2023`
Record UNII	1V2V14PS8N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NEOPETASOL

Common Name

English

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30220698

Created by admin on Sat Dec 16 10:47:55 UTC 2023 , Edited by admin on Sat Dec 16 10:47:55 UTC 2023

PRIMARY

PUBCHEM

155498

Created by admin on Sat Dec 16 10:47:55 UTC 2023 , Edited by admin on Sat Dec 16 10:47:55 UTC 2023

PRIMARY

CAS

70424-08-7

Created by admin on Sat Dec 16 10:47:55 UTC 2023 , Edited by admin on Sat Dec 16 10:47:55 UTC 2023

PRIMARY

FDA UNII

1V2V14PS8N

Created by admin on Sat Dec 16 10:47:55 UTC 2023 , Edited by admin on Sat Dec 16 10:47:55 UTC 2023

PRIMARY

Related Record Type Details


					97S2809V5R

PETASITES HYBRIDUS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Petasin chemovar-Eremophilane