TPCN00724

Name 17-O-acetylnorechitamine
Molecular Formula C23H28N2O5
Molecular Weight 412.49
CAS Registry Number 123064-74-4
SMILES CC=C1CN2CCC34c5ccccc5NC23C(O)CC1C4(COC(C)=O)C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia rostrata Stems 0.000035% Nat Prod Res, 2018, 32, 844-848. 10.1080/14786419.2017.1360886
Properties
HBA 7 HBD 2
HeavyAtoms 30 AlogP 1.82
TPSA 88.10 RotatableBonds 3
FractionCSP3 0.57 Rings 6
AromaticRings 1 AliphaticRings 5