TPCN02932

Name 4-deoxy-4(??)H-8-hydroperoxyphorbol-12-benzoate-13-isobutyrate
Molecular Formula C31H38O9
Molecular Weight 554.64
CAS Registry Number 1859957-98-4
SMILES CC1=CC2C(C1=O)C(O)C(C)=CC1(OO)C3C(C)(C)C3(OC(=O)C(C)C)C(OC(=O)c3ccccc3)C(C)C21O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia dracunculoides Whole plants 0.000159% Nat Prod Res 30, 1639-1645 (2016). 10.1080/14786419.2015.1129334
Properties
HBA 9 HBD 3
HeavyAtoms 40 AlogP 3.50
TPSA 139.59 RotatableBonds 5
FractionCSP3 0.58 Rings 5
AromaticRings 1 AliphaticRings 4