CAS Registry Number®
55290-63-6
CAS Name
Atractylodin
Molecular Formula
C13H10O
Molecular Mass
182.22
Compound Properties
-
Melting Point (1)
52 °C
Source(s)
- (1) Yoshioka, Ichiro; Yakugaku Zasshi, (1960), 80, 1564-6, CAplus
Other Names and Identifiers
InChI
InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
InChIKey
InChIKey=GRBKWAXRYIITKG-QFMFQGICSA-N
SMILES
C(=C/C#CC#C/C=C/C)\C1=CC=CO1
Canonical SMILES
C(C#CC=CC)#CC=CC=1OC=CC1
Other Names for this Substance
- Furan, 2-(1E,7E)-1,7-nonadiene-3,5-diyn-1-yl-
- Atractylodin
- Furan, 2-(1,7-nonadiene-3,5-diynyl)-, (E,E)-
- Furan, 2-(1E,7E)-1,7-nonadiene-3,5-diynyl-
- 2-(1E,7E)-1,7-Nonadiene-3,5-diyn-1-ylfuran
- Atractydin
