TPCN01466

Name 3-((S)-2-methylbutyryloxy)-costu1(10),4(5)-dien-12,6a-olide
Molecular Formula C20H28O4
Molecular Weight 332.44
CAS Registry Number 1062645-38-8
SMILES C=C1C(=O)OC2C=C(C)C(OC(=O)C(C)CC)CC=C(C)CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Artemisia princeps Aerial parts 0.000425% Chem Pharm Bull (Tokyo) 56, 1168-1172.(2008) 10.1248/cpb.56.1168
Properties
HBA 4 HBD 0
HeavyAtoms 24 AlogP 4.12
TPSA 52.60 RotatableBonds 3
FractionCSP3 0.60 Rings 2
AromaticRings 0 AliphaticRings 2