TPCN01360

Name 4??-Hydroxy-3??-chloro-8??-acetoxyguai-1(10),11(13)-dien6??,12-olide
Molecular Formula C17H21ClO5
Molecular Weight 340.80
CAS Registry Number 796095-58-4
SMILES C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@H](OC(C)=O)[C@@H]12)C[C@H](Cl)[C@@]3(C)O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Artemisia suksdorfii Aerial parts 0.000632% J Nat Prod 67, 1705-1710(2004) 10.1021/np049954j
Properties
HBA 5 HBD 1
HeavyAtoms 23 AlogP 2.11
TPSA 72.83 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3