TPCN02269

Name 6alpha-acetoxyanopterine
Molecular Formula C33H45NO8
Molecular Weight 583.72
CAS Registry Number 1829567-11-4
SMILES C=C1CC23CC(OC(C)=O)C4(O)C5(C)CC(O)CC46C(C2C1C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CC)C36)N(C)C5
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Escalloniaceae Anopterus macleayanus Leaves 0.003926% J Nat Prod 78, 2908-2916 (2015). 10.1021/acs.jnatprod.5b00509
Properties
HBA 9 HBD 2
HeavyAtoms 42 AlogP 3.09
TPSA 122.60 RotatableBonds 5
FractionCSP3 0.73 Rings 6
AromaticRings 0 AliphaticRings 6