TPCN02431

Name 12-deoxyphorbaldehyde-13-hexadecanoate;12-deoxyphorbol-13-hexadecanoate
Molecular Formula C36H58O6
Molecular Weight 586.85
CAS Registry Number 66583-59-3
SMILES CCCCCCCCCCCCCCCC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia fischeriana Whole plants 0.001383% J Nat Prod 74, 1508-1512 (2011). 10.1021/np200058c
Euphorbiaceae Euphorbia fischeriana Roots 0.001317% Nat Prod Res, 1-9 (2019). 10.1080/14786419.2019.1607331
Properties
HBA 6 HBD 3
HeavyAtoms 42 AlogP 6.99
TPSA 104.06 RotatableBonds 16
FractionCSP3 0.83 Rings 4
AromaticRings 0 AliphaticRings 4