TPCN00045

Name 8-hydroxy-4,7,7-trimethyl-1,6dioxaspiro[4.4]non-3-en-2-one
Molecular Formula C10H14O4
Molecular Weight 198.22
CAS Registry Number 2058226-79-0
SMILES CC1=CC(=O)OC12CC(O)C(C)(C)O2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Lauraceae Cinnamomum inunctum Fruits 0.023127% Chem Pharm Bull (Tokyo), 2015, 63, 833-836. 10.1248/cpb.c15-00368
Properties
HBA 4 HBD 1
HeavyAtoms 14 AlogP 0.75
TPSA 55.76 RotatableBonds 0
FractionCSP3 0.70 Rings 2
AromaticRings 0 AliphaticRings 2