TPCN02632

Name Spiramine U
Molecular Formula C24H35NO5
Molecular Weight 417.55
CAS Registry Number 205871-37-0
SMILES CC(=O)OC1C2OC3N4CCOC4C4(C)CCCC3(C14)C1CC3CCC21CC3(C)O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Spiraea japonica Roots 0.000500% J Asian Nat Prod Res 2, 271-281 (2000). 10.1080/10286020008041366
Properties
HBA 6 HBD 1
HeavyAtoms 30 AlogP 2.68
TPSA 68.23 RotatableBonds 1
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9