.ALPHA.-IRONE, TRANS-(+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H22O
Molecular Weight	206.3239
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CC=C(C)[C@H](\C=C\C(C)=O)C1(C)C

InChI

InChIKey=JZQOJFLIJNRDHK-SXDPYWSBSA-N

InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H22O
Molecular Weight	206.3239
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:31 GMT 2023` Edited by `admin` on `Sat Dec 16 11:00:31 GMT 2023`
Record UNII	0VYC084P5B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-IRONE, TRANS-(+)-

Common Name

English

(+)-TRANS-.ALPHA.-IRONE

Common Name

English

D-TRANS-.ALPHA.-IRONE [MI]

Common Name

English

3-BUTEN-2-ONE, 4-((1S,5S)-2,5,6,6-TETRAMETHYL-2-CYCLOHEXEN-1-YL)-, (3E)-

Systematic Name

English

(+)-(2S,6S)-TRANS-.ALPHA.-IRONE

Common Name

English

Code System Code Type Description

PUBCHEM

5281905

Created by admin on Sat Dec 16 11:00:31 GMT 2023 , Edited by admin on Sat Dec 16 11:00:31 GMT 2023

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CAS

90242-81-2

Created by admin on Sat Dec 16 11:00:31 GMT 2023 , Edited by admin on Sat Dec 16 11:00:31 GMT 2023

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MERCK INDEX

m6410

Created by admin on Sat Dec 16 11:00:31 GMT 2023 , Edited by admin on Sat Dec 16 11:00:31 GMT 2023

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Merck Index

FDA UNII

0VYC084P5B

Created by admin on Sat Dec 16 11:00:31 GMT 2023 , Edited by admin on Sat Dec 16 11:00:31 GMT 2023

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