ISOTHUJONE, (-)-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H16O
Molecular Weight	152.2334
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOTHUJONE, (-)-

Structure Search

SMILES

CC(C)[C@]12C[C@H]1[C@@H](C)C(=O)C2

InChI

InChIKey=USMNOWBWPHYOEA-KHQFGBGNSA-N

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H16O
Molecular Weight	152.2334
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 11:48:38 GMT 2023` Edited by `admin` on `Sat Dec 16 11:48:38 GMT 2023`
Record UNII	0871SY94RA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOTHUJONE, (-)-

Common Name

English

TRANS-THUJONE

Common Name

English

BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1R,4R,5S)-

Systematic Name

English

(-)-.BETA.-THUJONE

Common Name

English

(-)-ISOTHUJONE

Common Name

English

Code System Code Type Description

FDA UNII

0871SY94RA

Created by admin on Sat Dec 16 11:48:38 GMT 2023 , Edited by admin on Sat Dec 16 11:48:38 GMT 2023

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CHEBI

50045

Created by admin on Sat Dec 16 11:48:38 GMT 2023 , Edited by admin on Sat Dec 16 11:48:38 GMT 2023

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EPA CompTox

DTXSID50424914

Created by admin on Sat Dec 16 11:48:38 GMT 2023 , Edited by admin on Sat Dec 16 11:48:38 GMT 2023

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PUBCHEM

6553876

Created by admin on Sat Dec 16 11:48:38 GMT 2023 , Edited by admin on Sat Dec 16 11:48:38 GMT 2023

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CAS

33766-30-2

Created by admin on Sat Dec 16 11:48:38 GMT 2023 , Edited by admin on Sat Dec 16 11:48:38 GMT 2023

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