TPCN03004

Name 11alpha-benzoylanopterine
Molecular Formula C33H41NO7
Molecular Weight 563.69
CAS Registry Number 1829567-13-6
SMILES C=C1CC23CC(O)C4(O)C5(C)CC(O)CC46C(C2C1C(OC(=O)C(C)=CC)C(OC(=O)c1ccccc1)C36)N(C)C5
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Escalloniaceae Anopterus macleayanus Woods 0.000108% J Nat Prod 78, 2908-2916 (2015). 10.1021/acs.jnatprod.5b00509
Properties
HBA 8 HBD 3
HeavyAtoms 41 AlogP 2.87
TPSA 116.53 RotatableBonds 4
FractionCSP3 0.64 Rings 7
AromaticRings 1 AliphaticRings 6