ISOPETASOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22O2
Molecular Weight	234.334
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=TVDMUSYVWJLIDK-PSOPSSQASA-N

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

HIDE SMILES / InChI

Molecular Formula	C15H22O2
Molecular Weight	234.334
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 `Sat Dec 16 11:11:04 UTC 2023` Edited by `admin` on `Sat Dec 16 11:11:04 UTC 2023`
Record UNII	3612JYH60G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPETASOL

Common Name

English

EREMOPHILA-7(11),9-DIEN-8-ONE, 3.ALPHA.-HYDROXY-

Common Name

English

(+)-ISOPETASOL

Common Name

English

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

Systematic Name

English

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

Common Name

English

Code System Code Type Description

CAS

469-67-0

Created by admin on Sat Dec 16 11:11:04 UTC 2023 , Edited by admin on Sat Dec 16 11:11:04 UTC 2023

PRIMARY

PUBCHEM

11746594

Created by admin on Sat Dec 16 11:11:04 UTC 2023 , Edited by admin on Sat Dec 16 11:11:04 UTC 2023

PRIMARY

FDA UNII

3612JYH60G

Created by admin on Sat Dec 16 11:11:04 UTC 2023 , Edited by admin on Sat Dec 16 11:11:04 UTC 2023

PRIMARY

Related Record Type Details


					97S2809V5R

PETASITES HYBRIDUS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Petasin chemovar-Eremophilane