TPCN01408

Name 3??,4??,10??-Trihydroxy-8??-acetoxyguai-1,11(13)-dien6??,12-olide
Molecular Formula C17H22O7
Molecular Weight 338.36
CAS Registry Number 796095-63-1
SMILES C=C1C(=O)O[C@@H]2[C@@H]3C(=C[C@@H](O)[C@]3(C)O)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Artemisia suksdorfii Aerial parts 0.000526% J Nat Prod 67, 1705-1710(2004) 10.1021/np049954j
Properties
HBA 7 HBD 3
HeavyAtoms 24 AlogP -0.16
TPSA 113.29 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3