3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

(-)-Cinerin I
Cinerin
Cinerin I
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S)-3-(2Z)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1α[S*(Z)],3β]]-
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FMTFEIJHMMQUJI-DFKXKMKHSA-N
InChI2D string chemrof:inchi2d_string	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
IUPAC name chemrof:IUPAC_name	3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula	C20H28O3
Molecular mass chemrof:molecular_mass	316.441
Monoisotopic mass chemrof:monoisotopic_mass	316.203845
SMILES string chemrof:smiles_string	CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=25402-06-6	enrich_references.consensus_cas_link
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3706	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.042.665	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4041787	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3LA34LQ1VC	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J19.772F	enrich_references.pubchem_identifier_url
kegg.jp	https://www.kegg.jp/entry/C09845	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53071	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/5281547	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27106172	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c81b99b4-a68b-4616-9991-ce06584d7dec	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
abecaed6-7c33-4fd9-9715-4ad9a3516e60	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
00c60205-a296-4602-b05b-febf36483181	Environmental → Air → Indoor	EF 3.1	kg	2
76644dca-14d9-4fe0-9e68-66546de5a88d	Environmental → Air → Long-term	EF 3.1	kg	0
49196a1e-0bd5-41b8-8ce3-72936c036538	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
e6acab94-db17-447e-bc36-607f201b46c8	Environmental → Air → Unknown	EF 3.1	kg	2
86124a5f-8eff-4f52-96c1-6c16bde89245	Environmental → Ground → Agricultural	EF 3.1	kg	2
8cc6c844-916c-4480-ab43-b55549f981af	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
31f00772-ccdf-4c51-a3cd-1004102cc6ee	Environmental → Ground → Unknown	EF 3.1	kg	2
d0ed6dde-485e-4dfd-9a30-723cfb7e87cc	Environmental → Water → Long-term	EF 3.1	kg	0
aa55a0de-95d8-47e6-b031-b194d6504be2	Environmental → Water → Ocean	EF 3.1	kg	2
f2768aea-aac8-493b-bbd9-83fb9362d098	Environmental → Water → Surface water	EF 3.1	kg	2
31715359-14e8-4c5c-96b4-30c6a8243030	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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  ]
}

3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard