TPCN02578

Name Reniformin A;(1??,7??,14R)-20-(Acetyloxy)-1,7,14-trihydroxykaur-16-en-15-one
Molecular Formula C22H32O6
Molecular Weight 392.49
CAS Registry Number 96140-18-0
SMILES C=C1C(=O)C23C(O)CC4C(C)(C)CCC(O)C4(COC(C)=O)C2CCC1C3O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Isodon inflexus Aerial parts 0.000633% Nat Prod Res 30, 995-1000 (2016). 10.1080/14786419.2015.1094803
Lamiaceae Isodon excisus Aerial parts 0.000033% J Nat Prod 67, 373-376 (2004). 10.1021/np030357r
Properties
HBA 6 HBD 3
HeavyAtoms 28 AlogP 1.61
TPSA 104.06 RotatableBonds 2
FractionCSP3 0.82 Rings 4
AromaticRings 0 AliphaticRings 4