TPCN02306

Name Delsemine B
Molecular Formula C37H53N3O10
Molecular Weight 699.84
CAS Registry Number 66841-98-3
SMILES CCN1CC2(COC(=O)c3ccccc3NC(=O)CC(C)C(N)=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Delphinium umbrosum Roots 0.002889% J Asian Nat Prod Res 12, 498-504 (2010). 10.1080/10286020.2010.489827
Properties
HBA 13 HBD 5
HeavyAtoms 50 AlogP 1.59
TPSA 179.11 RotatableBonds 12
FractionCSP3 0.76 Rings 7
AromaticRings 1 AliphaticRings 6