TPCN01717

Name Chlotrichenes B
Molecular Formula C32H36O8
Molecular Weight 548.63
CAS Registry Number 2330830-31-2
SMILES COC(=O)C(C)=C1C=C2C(C)(C(O)C1=O)C1CC1C21CCC2=C3C1C(=C(C)C(=O)OC)C(=O)C(O)C3(C)C1CC21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus holostegius Roots 0.000168% Org Lett 21(3): 789-792.(2019) 10.1021/acs.orglett.8b04046
Properties
HBA 8 HBD 2
HeavyAtoms 40 AlogP 2.78
TPSA 127.20 RotatableBonds 2
FractionCSP3 0.63 Rings 7
AromaticRings 0 AliphaticRings 7