TPCN02532

Name Reniformin
Molecular Formula C28H40O6S
Molecular Weight 504.69
CAS Registry Number 1006039-05-9
SMILES CC1(CCO)CC2=CCC3C(C1)C(C)(CC2)CCC3(C)C(=O)Oc1ccc(CCS(=O)(=O)O)cc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Geraniaceae Pelargonium reniforme Roots 0.000800% Phytochemistry 69, 820-826 (2008). 10.1016/j.phytochem.2007.08.032
Properties
HBA 6 HBD 2
HeavyAtoms 35 AlogP 5.35
TPSA 100.90 RotatableBonds 7
FractionCSP3 0.68 Rings 5
AromaticRings 1 AliphaticRings 4