TPCN02236

Name Delsemine A
Molecular Formula C37H53N3O10
Molecular Weight 699.84
CAS Registry Number 66878-11-3
SMILES CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(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 0.005778% J Asian Nat Prod Res 12, 498-504 (2010). 10.1080/10286020.2010.489827
Ranunculaceae Delphinium chrysotrichum Aerial parts 0.000250% Fitoterapia 139, 104407 (2019). 10.1016/j.fitote.2019.104407
Properties
HBA 13 HBD 5
HeavyAtoms 50 AlogP 1.59
TPSA 179.11 RotatableBonds 12
FractionCSP3 0.76 Rings 7
AromaticRings 1 AliphaticRings 6