.ALPHA.-THUJONE

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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 .ALPHA.-THUJONE

Structure Search

SMILES

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

InChI

InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-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 `Fri Dec 15 20:38:12 UTC 2023` Edited by `admin` on `Fri Dec 15 20:38:12 UTC 2023`
Record UNII	R0SQ9G0DU5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-THUJONE

Common Name

English

ALFA-THUJONE

Common Name

English

3-THUJANONE, (1S,4R,5R)-(-)-

Systematic Name

English

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

Systematic Name

English

THUJONE, .ALPHA.-

Common Name

English

NSC-93742

Code

English

.ALPHA.-THUJONE [MI]

Common Name

English

ALPHA-THUJONE

Common Name

English

(-)-THUJONE

Common Name

English

Code System Code Type Description

FDA UNII

R0SQ9G0DU5

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

PRIMARY

EPA CompTox

DTXSID3026148

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

PRIMARY

PUBCHEM

261491

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

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CAS

546-80-5

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

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MERCK INDEX

m10816

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

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Merck Index

NSC

93742

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

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CHEBI

9577

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

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ECHA (EC/EINECS)

208-912-2

Created by admin on Fri Dec 15 20:38:12 UTC 2023 , Edited by admin on Fri Dec 15 20:38:12 UTC 2023

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