TPCN02295

Name Delavaine A
Molecular Formula C38H54N2O11
Molecular Weight 714.85
CAS Registry Number 109291-57-8
SMILES CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(=O)OC)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 0.003111% J Asian Nat Prod Res 12, 498-504 (2010). 10.1080/10286020.2010.489827
Ranunculaceae Delphinium chrysotrichum Aerial parts 0.000187% Fitoterapia 139, 104407 (2019). 10.1016/j.fitote.2019.104407
Properties
HBA 13 HBD 3
HeavyAtoms 51 AlogP 2.27
TPSA 162.32 RotatableBonds 12
FractionCSP3 0.76 Rings 7
AromaticRings 1 AliphaticRings 6