TPCN03114

Name 12-O-neodecanoyl-7-oxo-5-ene-phorbol-13-acetate
Molecular Formula C32H46O9
Molecular Weight 574.71
CAS Registry Number 1566560-87-9
SMILES CCCCCCCCCC(=O)OC1C(C)C2(O)C(C(=O)C(CO)=CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Thymelaeaceae Daphne genkwa Buds 0.000058% J Asian Nat Prod Res 15, 502-506 (2013). 10.1080/10286020.2013.786703
Properties
HBA 9 HBD 3
HeavyAtoms 41 AlogP 3.37
TPSA 147.43 RotatableBonds 11
FractionCSP3 0.75 Rings 4
AromaticRings 0 AliphaticRings 4