TPCN02663
Name | 15-oxozoapatlin-13alpha-yl-10'alpha,16'alpha-dihydroxy-9'alpha-methyl-20'-nor-kau ran-19'-oic acid gamma-lactone-17'-oate |
Molecular Formula | C40H52O8 |
Molecular Weight | 660.85 |
CAS Registry Number | 912807-62-6 |
SMILES | C=C1C(=O)C23CCC4C5(C)CCCC4(OC5=O)C2(C)CCC1(OC(=O)C1(O)CC24CCC5C6(C)CCCC5(OC6=O)C2(C)CCC1C4)C3 |
Classify | Diterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Chrysobalanaceae | Parinari campestris | Leaves | 0.000426% | Fitoterapia 76, 614-619 (2005). | 10.1016/j.fitote.2005.05.005 |
Properties
HBA | 8 | HBD | 1 |
HeavyAtoms | 48 | AlogP | 6.30 |
TPSA | 116.20 | RotatableBonds | 2 |
FractionCSP3 | 0.85 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |