TPCN03524

Name Taxumariene C
Molecular Formula C37H46O12
Molecular Weight 682.76
CAS Registry Number 2624217-32-7
SMILES CC(=O)OCC1=CC(OC(C)=O)C2CC(O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1C(=O)c1ccccc1)C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Taxaceae Taxus mairei Leaves 0.000180% None 10.1016/j.bioorg.2019.103400
Properties
HBA 12 HBD 1
HeavyAtoms 49 AlogP 4.73
TPSA 168.80 RotatableBonds 8
FractionCSP3 0.51 Rings 3
AromaticRings 1 AliphaticRings 2