TPCN01069

Name 8??-isobutyryloxydouglanin
Molecular Formula C19H26O5
Molecular Weight 334.41
CAS Registry Number 481070-20-6
SMILES C=C1C(=O)OC2C1C(OC(=O)C(C)C)CC1(C)C(O)CC=C(C)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Anthemis carpatica Whole plants 0.002947% Z Naturforsch C J Biosci 57(9-10): 769-772.(2002) 10.1515/znc-2002-9-1001
Properties
HBA 5 HBD 1
HeavyAtoms 24 AlogP 2.39
TPSA 72.83 RotatableBonds 2
FractionCSP3 0.68 Rings 3
AromaticRings 0 AliphaticRings 3