CINERIN I

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O3
Molecular Weight	316.4345
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CINERIN I

Structure Search

SMILES

C\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C

InChI

InChIKey=FMTFEIJHMMQUJI-DFKXKMKHSA-N

InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O3
Molecular Weight	316.4345
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:01:28 UTC 2023` Edited by `admin` on `Fri Dec 15 15:01:28 UTC 2023`
Record UNII	3LA34LQ1VC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINERIN I

Common Name

English

CINERIN 1

Common Name

English

CINERIN I [MI]

Common Name

English

(Z)-(S)-3-(BUT-2-ENYL)-2-METHYL-4-OXOCYCLOPENT-2-ENYL (+)-TRANS-CHRYSANTHEMATE

Common Name

English

CINERIN I [ISO]

Common Name

English

(1S)-3-(2Z)-2-BUTENYL-2-METHYL-4-OXO-2-CYCLOPENTEN-1-YL (1R,3R)-2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)CYCLOPROPANECARBOXYLATE

Common Name

English

(Z)-(S)-3-(BUT-2-ENYL)-2-METHYL-4-OXOCYCLOPENT-2-ENYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLATE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

69009

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

Code System Code Type Description

CAS

25402-06-6

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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ALANWOOD

cinerin I

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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CAS

97-12-1

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID4041787

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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PUBCHEM

5281547

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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FDA UNII

3LA34LQ1VC

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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CHEBI

3706

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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ECHA (EC/EINECS)

246-948-0

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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MERCK INDEX

m3563

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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Merck Index

HSDB

6837

Created by admin on Fri Dec 15 15:01:28 UTC 2023 , Edited by admin on Fri Dec 15 15:01:28 UTC 2023

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