Xanthoxin

(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal

Also Known As: Xanthoxin|2-cis,4-trans-Xanthoxin|Xanthoxal|c-Xanthoxin|cis,trans-Xanthoxin|(2Z,4E)-Xanthoxin|EINECS 232-513-2|(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal|[1S-[1alpha ,4alpha,6alpha]]-5- -3-methylpenta-2,4-dienal|(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methylpenta-2,4-dienal|(1S-(1alpha(2Z,4E),4alpha,6alpha))-5-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-methylpenta-2,4-dienal|(2Z,4E)-3-Methyl-5-[(1S)-2,2,6alpha-trimethyl-4alpha-hydroxy-7-oxabicyclo[4.1.0]heptane-1alpha-yl]-2,4-pentadienal|(2Z,4E)-3-Methyl-5-[(1S)-2,2,6alpha-trimethyl-4alpha-hydroxy-7-oxabicyclo[4.1.0]heptane-1alpha-yl]-2,4-pentadiene-1-al|(2Z,4E)-5-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-methylpenta-2,4-dienal|(2Z,4E)-5-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)heptan-1-yl)-3-methylpenta-2,4-dienal|(2Z,4E)-5-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3-methylpenta-2,4-dienal|(2Z,4E)-5-[(1S)-4alpha-Hydroxy-2,2,6alpha-trimethyl-7-oxabicyclo[4.1.0]heptan-1alpha-yl]-3-methyl-2,4-pentadienal|(2Z,4E)-5-[(1S,4S,6R)-4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-yl]-3-methyl-2,4-pentadienal|[1S-[1 alpha(E,E),4 alpha,6 alpha]]-5-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-2,4-pentadienal mixt. with [1S-[1 alpha(Z,E),4 alpha,6 alpha]]-5-(4-Hydroxy-2,2,6 trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-2,4-pentadienal|[1s-[1Alpha(2Z,4E),4alpha,6alpha]]-5-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-methylpenta-2,4-dienal|2,4-Pentadienal, 5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-, (2Z,4E)-|trans,trans-5-(1',2'-Epoxy-4'-hydroxy-2',6',6'-trimethyl-1'-cyclohexyl)-3-methylpentadienal

Molecular Formula	C15H22O3
Molecular Weight	250.15689 g/mol
LogP	2.3964
Topological Polar Surface Area	49.83 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	250.15689
Monoisotopic Mass	250.15689
Heavy Atoms	18
Complexity	421.45465

Chemical Identifiers

CAS Number	8066-07-7
SMILES	C/C(=C/C=O)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C