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beta-Kessyl ketone

Properties

Image

Occurences in reactions

MNX_ID

MNXM119740

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₅H₂₄O₂

charge

mass

236.17763

reference

InChIKey

CSLBUZGPLRECOR-BBIZWXPBSA-N

InChI

InChI=1S/C15H24O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-11,13H,5-8H2,1-4H3/t10-,11-,13-,14-,15+/m1/s1

SMILES

CC(C)[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)C[C@@H](C)[C@H]1C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173714 chebi:173714	beta-Kessyl ketone (1R,2S,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-3-one
hmdb:HMDB0036446	beta-Kessyl ketone (1R-cis)-1,2,3,4,5,6-Hexahydro-1,4-dimethyl-7-(1-methylethyl)azulene (4a,10a)-1(5),6-Guaiadiene (4alpha,10alpha)-1(5),6-guaiadiene 1,5-dimethyl-8-(propan-2-yl)-11-oxatricyclo[6.2.1.0²,⁶]undecan-3-one 7,10-Epoxy-2-guaianone 8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0²,⁶]undecan-3-one b-Kessyl ketone beta-kessyl ketone
hmdb:HMDB36446	secondary/obsolete/fantasy identifier