.ALPHA.-THUJENE, (±)-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H16
Molecular Weight	136.234
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-THUJENE, (±)-

Structure Search

SMILES

CC(C)[C@]12C[C@H]1C(C)=CC2

InChI

InChIKey=KQAZVFVOEIRWHN-UWVGGRQHSA-N

InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H16
Molecular Weight	136.234
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:57:38 UTC 2023` Edited by `admin` on `Sat Dec 16 08:57:38 UTC 2023`
Record UNII	U9HIP11C7C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-THUJENE, (±)-

Common Name

English

ORIGANENE

Common Name

English

.ALPHA.-THUJENE

Common Name

English

2-METHYL-5-ISOPROPYLBICYCLO(3.1.0)-2-HEXENE

Common Name

English

BICYCLO(3.1.0)HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-

Systematic Name

English

THUJIENE

Common Name

English

Code System Code Type Description

CAS

2867-05-2

Created by admin on Sat Dec 16 08:57:38 UTC 2023 , Edited by admin on Sat Dec 16 08:57:38 UTC 2023

PRIMARY

ECHA (EC/EINECS)

220-686-7

Created by admin on Sat Dec 16 08:57:38 UTC 2023 , Edited by admin on Sat Dec 16 08:57:38 UTC 2023

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FDA UNII

U9HIP11C7C

Created by admin on Sat Dec 16 08:57:38 UTC 2023 , Edited by admin on Sat Dec 16 08:57:38 UTC 2023

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PUBCHEM

12444324

Created by admin on Sat Dec 16 08:57:38 UTC 2023 , Edited by admin on Sat Dec 16 08:57:38 UTC 2023

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WIKIPEDIA

Thujene

Created by admin on Sat Dec 16 08:57:38 UTC 2023 , Edited by admin on Sat Dec 16 08:57:38 UTC 2023

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EPA CompTox

DTXSID20863038

Created by admin on Sat Dec 16 08:57:38 UTC 2023 , Edited by admin on Sat Dec 16 08:57:38 UTC 2023

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CHEBI

50031

Created by admin on Sat Dec 16 08:57:38 UTC 2023 , Edited by admin on Sat Dec 16 08:57:38 UTC 2023

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Related Record Type Details


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CANNABIS SATIVA SUBSP. INDICA TOP

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Monoterpene Class