THEASPIRANE, TRANS-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H22O
Molecular Weight	194.3132
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CC[C@]2(O1)C(C)=CCCC2(C)C

InChI

InChIKey=GYUZHTWCNKINPY-YPMHNXCESA-N

InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H22O
Molecular Weight	194.3132
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Hydrolysis of glycosidically bound volatiles from apple leaves (Cv. Anna) by Aspergillus niger beta-glucosidase affects the behavior of codling moth (Cydia pomonella L.).	2004-10-06	15453689

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:38:44 GMT 2025` Edited by `admin` on `Mon Mar 31 20:38:44 GMT 2025`
Record UNII	BH198C2TXE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 3774, TRANS-(±)-

Preferred Name

English

THEASPIRANE, TRANS-(±)-

Common Name

English

THEASPIRANE A

Common Name

English

1-OXASPIRO(4.5)DEC-6-ENE, 2,6,10,10-TETRAMETHYL-, (2R,5R)-REL-

Common Name

English

TRANS-THEASPIRANE

Common Name

English

(±)-THEASPIRANE, (E)-

Common Name

English

1-OXASPIRO(4.5)DEC-6-ENE, 2,6,10,10-TETRAMETHYL-, TRANS-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90885888

Created by admin on Mon Mar 31 20:38:44 GMT 2025 , Edited by admin on Mon Mar 31 20:38:44 GMT 2025

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CAS

43126-22-3

Created by admin on Mon Mar 31 20:38:44 GMT 2025 , Edited by admin on Mon Mar 31 20:38:44 GMT 2025

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FDA UNII

BH198C2TXE

Created by admin on Mon Mar 31 20:38:44 GMT 2025 , Edited by admin on Mon Mar 31 20:38:44 GMT 2025

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