U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O
Molecular Weight 190.2814
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOURGEONAL

SMILES

CC(C)(C)C1=CC=C(CCC=O)C=C1

InChI

InChIKey=FZJUFJKVIYFBSY-UHFFFAOYSA-N
InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H18O
Molecular Weight 190.2814
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Olfaction: attracting both sperm and the nose.
2004 Nov 9
Prediction of perception: probing the hOR17-4 olfactory receptor model with silicon analogues of bourgeonal and lilial.
2007
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:16:14 GMT 2023
Edited
by admin
on Sat Dec 16 02:16:14 GMT 2023
Record UNII
H3XVS6E70V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOURGEONAL
Common Name English
3-(4-TERT-BUTYLPHENYL)PROPANAL
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Bourgeonal
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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FDA UNII
H3XVS6E70V
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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CAS
18127-01-0
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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EPA CompTox
DTXSID6044808
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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RXCUI
2584844
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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ECHA (EC/EINECS)
242-016-2
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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PUBCHEM
64832
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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DAILYMED
H3XVS6E70V
Created by admin on Sat Dec 16 02:16:14 GMT 2023 , Edited by admin on Sat Dec 16 02:16:14 GMT 2023
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