JASMOLIN I

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O3
Molecular Weight	330.4611
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of JASMOLIN I

Structure Search

SMILES

CC\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=NZKIRHFOLVYKFT-VUMXUWRFSA-N

InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O3
Molecular Weight	330.4611
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:40:35 GMT 2023` Edited by `admin` on `Fri Dec 15 17:40:35 GMT 2023`
Record UNII	E11IV49HVI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JASMOLIN I

Common Name

English

JASMOLIN 1

Common Name

English

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

Systematic Name

English

(Z)-(S)-2-METHYL-4-OXO-3-(PENT-2-ENYL)CYCLOPENT-2-ENYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLATE

Systematic Name

English

JASMOLIN I [MI]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

69011

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

Code System Code Type Description

CAS

4466-14-2

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

PRIMARY

PUBCHEM

12304687

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

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FDA UNII

E11IV49HVI

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

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CHEBI

39113

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

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EPA CompTox

DTXSID5042081

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

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ALANWOOD

jasmolin I

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

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MERCK INDEX

m6576

Created by admin on Fri Dec 15 17:40:35 GMT 2023 , Edited by admin on Fri Dec 15 17:40:35 GMT 2023

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Merck Index