TPCN02282

Name Umbrosumine B
Molecular Formula C38H53N3O11
Molecular Weight 727.85
CAS Registry Number 1304538-48-4
SMILES CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC(C)=O)C(O)(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Delphinium umbrosum Roots 0.003333% J Asian Nat Prod Res 12, 498-504 (2010). 10.1080/10286020.2010.489827
Properties
HBA 14 HBD 5
HeavyAtoms 52 AlogP 1.50
TPSA 196.18 RotatableBonds 12
FractionCSP3 0.74 Rings 7
AromaticRings 1 AliphaticRings 6